3-[benzyl(phenyl)sulfamoyl]benzoic acid

C20H17NO4S — CID 2389222

IUPAC3-[benzyl(phenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H17NO4S/c22-20(23)17-10-7-13-19(14-17)26(24,25)21(18-11-5-2-6-12-18)15-16-8-3-1-4-9-16/h1-14H,15H2,(H,22,23)
InChIKeyXDOLSWJSNIRYRU-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.78
Rot. Bonds6

About 3-[benzyl(phenyl)sulfamoyl]benzoic acid

3-[benzyl(phenyl)sulfamoyl]benzoic acid (PubChem CID 2389222) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[benzyl(phenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[benzyl(phenyl)sulfamoyl]benzoic acid
PubChem CID2389222
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name3-[benzyl(phenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H17NO4S/c22-20(23)17-10-7-13-19(14-17)26(24,25)21(18-11-5-2-6-12-18)15-16-8-3-1-4-9-16/h1-14H,15H2,(H,22,23)
InChIKeyXDOLSWJSNIRYRU-UHFFFAOYSA-N
XLogP3.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(phenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[benzyl(phenyl)sulfamoyl]benzoic acid (CID 2389222) is 3-[benzyl(phenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[benzyl(phenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[benzyl(phenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[benzyl(phenyl)sulfamoyl]benzoic acid?
The InChIKey is XDOLSWJSNIRYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c22-20(23)17-10-7-13-19(14-17)26(24,25)21(18-11-5-2-6-12-18)15-16-8-3-1-4-9-16/h1-14H,15H2,(H,22,23).
What are the key properties of 3-[benzyl(phenyl)sulfamoyl]benzoic acid?
3-[benzyl(phenyl)sulfamoyl]benzoic acid has a molecular weight of 367.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(phenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2389222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).