Chemical ID: 3990485

CN(c1ccccc1)S(=O)(=O)c2cccc(c2)C(=O)O
Chemical ID:
3990485
Name [?]:
3-(methyl-phenyl-sulfamoyl)benzoic acid
SMILES [?]:
CN(c1ccccc1)S(=O)(=O)c2cccc(c2)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H13NO4S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.37485
Area:455.432
Solvation:-3.01096
Coulombic:-35.7395
Bond Count [?]
All:21
Single:12
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.323
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.89
LogP (Chemaxon):2.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue