In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2005 | 19 | Yes |
Popular Name: 3-{[(tetrahydrofuran-2-ylmethyl)amino]sulfonyl}benzoic acid 3-{[(tetrahydrofuran-2-ylmethyl)…
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CAS Number: 603118-19-0
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.27 | 2.37 | -55.32 | 1 | 6 | -1 | 96 | 284.313 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 157 - 161 | Enamine Building Blocks |
MP | 158 - 160 | Enamine Building Blocks |
MP | 158...160 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Popular Name: 3-bromo-5-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoic 3-bromo-5-(tetrahydrofuran-2-ylm…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.03 | -6.93 | -50.84 | 1 | 6 | -1 | 95 | 363.209 | 5 | ↓ |
Popular Name: 3-bromo-5-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoic 3-bromo-5-(tetrahydrofuran-2-ylm…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.03 | -6.92 | -49.89 | 1 | 6 | -1 | 95 | 363.209 | 5 | ↓ |
Popular Name: 2-methyl-5-[(oxolan-2-ylmethyl)sulfamoyl]benzoic acid 2-methyl-5-[(oxolan-2-ylmethyl)s…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.33 | 2.05 | -55.2 | 1 | 6 | -1 | 96 | 298.34 | 5 | ↓ |
Popular Name: 2-methyl-5-[(oxolan-2-ylmethyl)sulfamoyl]benzoic acid 2-methyl-5-[(oxolan-2-ylmethyl)s…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.33 | 2.03 | -57.34 | 1 | 6 | -1 | 96 | 298.34 | 5 | ↓ |
Popular Name: 4-bromo-3-[[(2S)-tetrahydrofuran-2-yl]methylsulfamoyl]benzoic 4-bromo-3-[[(2S)-tetrahydrofuran…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.03 | 3.13 | -47.37 | 1 | 6 | -1 | 96 | 363.209 | 5 | ↓ |
Popular Name: 4-bromo-3-[[(2R)-tetrahydrofuran-2-yl]methylsulfamoyl]benzoic 4-bromo-3-[[(2R)-tetrahydrofuran…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.03 | 3.12 | -49.14 | 1 | 6 | -1 | 96 | 363.209 | 5 | ↓ |
Popular Name: 3-[[(2S)-tetrahydropyran-2-yl]methylsulfamoyl]benzoic 3-[[(2S)-tetrahydropyran-2-yl]me…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.77 | 3.18 | -54.66 | 1 | 6 | -1 | 96 | 298.34 | 5 | ↓ |
Popular Name: 3-[[(2R)-tetrahydropyran-2-yl]methylsulfamoyl]benzoic 3-[[(2R)-tetrahydropyran-2-yl]me…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.77 | 3.17 | -53.47 | 1 | 6 | -1 | 96 | 298.34 | 5 | ↓ |
Popular Name: 2-methyl-5-[[(2S)-tetrahydropyran-2-yl]methylsulfamoyl]benzoic 2-methyl-5-[[(2S)-tetrahydropyra…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.83 | 3.83 | -52.95 | 1 | 6 | -1 | 96 | 312.367 | 5 | ↓ |
Popular Name: 2-methyl-5-[[(2R)-tetrahydropyran-2-yl]methylsulfamoyl]benzoic 2-methyl-5-[[(2R)-tetrahydropyra…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.83 | 3.82 | -53.97 | 1 | 6 | -1 | 96 | 312.367 | 5 | ↓ |
Popular Name: 3-{[(tetrahydrofuran-2-ylmethyl)amino]sulfonyl}benzoic acid 3-{[(tetrahydrofuran-2-ylmethyl)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.27 | 2.36 | -54.38 | 1 | 6 | -1 | 96 | 284.313 | 5 | ↓ |