In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2005 | 20 | Yes |
Popular Name: 3-Amino-4-chloro-N-(3-chloro-4-methyl-phenyl)-benzenesulfonamide 3-Amino-4-chloro-N-(3-chloro-4-m…
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CAS Number: 78726-73-5
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) | 3.85 | -5.09 | -7.71 | 3 | 4 | 0 | 72 | 331.224 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Popular Name: 3-amino-4-chloro-N-(4-ethylphenyl)benzenesulfonamide 3-amino-4-chloro-N-(4-ethylpheny…
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) | 3.71 | 4.26 | -9.95 | 3 | 4 | 0 | 72 | 310.806 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.71 | 4.34 | -41.98 | 2 | 4 | -1 | 74 | 309.798 | 4 | ↓ |
Popular Name: 3-amino-4-chloro-N-(3-chloro-2-methyl-phenyl)benzenesulfonamide 3-amino-4-chloro-N-(3-chloro-2-m…
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) | 3.82 | 4.13 | -9.47 | 3 | 4 | 0 | 72 | 331.224 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 4.21 | -36.41 | 2 | 4 | -1 | 74 | 330.216 | 3 | ↓ |
Popular Name: 3-amino-N-(3-chloro-4-methyl-phenyl)-5-methyl-benzenesulfonamide 3-amino-N-(3-chloro-4-methyl-phe…
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) | 3.21 | 4.03 | -10.22 | 3 | 4 | 0 | 72 | 310.806 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 4.09 | -48.3 | 2 | 4 | -1 | 74 | 309.798 | 3 | ↓ |
Popular Name: 3-amino-N-(3-chloro-4-cyano-phenyl)-5-methyl-benzenesulfonamide 3-amino-N-(3-chloro-4-cyano-phen…
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) | 2.52 | 3.8 | -37.48 | 2 | 5 | -1 | 98 | 320.781 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 3.67 | -11.2 | 3 | 5 | 0 | 96 | 321.789 | 3 | ↓ |