2-[benzyl(phenyl)sulfamoyl]benzoic acid

C20H17NO4S — CID 18615547

IUPAC2-[benzyl(phenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO4S/c22-20(23)18-13-7-8-14-19(18)26(24,25)21(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23)
InChIKeyGOZVKMFPVHSNAC-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.78
Rot. Bonds6

About 2-[benzyl(phenyl)sulfamoyl]benzoic acid

2-[benzyl(phenyl)sulfamoyl]benzoic acid (PubChem CID 18615547) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[benzyl(phenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[benzyl(phenyl)sulfamoyl]benzoic acid
PubChem CID18615547
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name2-[benzyl(phenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO4S/c22-20(23)18-13-7-8-14-19(18)26(24,25)21(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23)
InChIKeyGOZVKMFPVHSNAC-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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Related Compounds

2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3460622
2-benzylsulfonylbenzoic acid
CID 561426
2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
N-benzyl-2-bromo-4-methyl-N-phenylbenzenesulfonamide
CID 113232443
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N-benzyl-N-phenylpyridine-2-sulfonamide
CID 102301711
2-[bis(cyanomethyl)sulfamoyl]benzoic acid
CID 18071736
N-benzyl-N-methyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173687
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 79390718

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(phenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[benzyl(phenyl)sulfamoyl]benzoic acid (CID 18615547) is 2-[benzyl(phenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[benzyl(phenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[benzyl(phenyl)sulfamoyl]benzoic acid is O=C(O)c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzyl(phenyl)sulfamoyl]benzoic acid?
The InChIKey is GOZVKMFPVHSNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c22-20(23)18-13-7-8-14-19(18)26(24,25)21(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23).
What are the key properties of 2-[benzyl(phenyl)sulfamoyl]benzoic acid?
2-[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 2-[benzyl(phenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 18615547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).