3-[(2-benzylphenyl)sulfamoyl]benzoic acid

C20H17NO4S — CID 2478696

IUPAC3-[(2-benzylphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C20H17NO4S/c22-20(23)17-10-6-11-18(14-17)26(24,25)21-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14,21H,13H2,(H,22,23)
InChIKeyJIDLQVJSXXNSMO-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.78
Rot. Bonds6

About 3-[(2-benzylphenyl)sulfamoyl]benzoic acid

3-[(2-benzylphenyl)sulfamoyl]benzoic acid (PubChem CID 2478696) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[(2-benzylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-benzylphenyl)sulfamoyl]benzoic acid
PubChem CID2478696
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name3-[(2-benzylphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C20H17NO4S/c22-20(23)17-10-6-11-18(14-17)26(24,25)21-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14,21H,13H2,(H,22,23)
InChIKeyJIDLQVJSXXNSMO-UHFFFAOYSA-N
XLogP3.78
TPSA83.47 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(2-benzylphenyl)sulfamoyl]benzoic acid (CID 2478696) is 3-[(2-benzylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-benzylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(2-benzylphenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1.
What is the InChIKey of 3-[(2-benzylphenyl)sulfamoyl]benzoic acid?
The InChIKey is JIDLQVJSXXNSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c22-20(23)17-10-6-11-18(14-17)26(24,25)21-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14,21H,13H2,(H,22,23).
What are the key properties of 3-[(2-benzylphenyl)sulfamoyl]benzoic acid?
3-[(2-benzylphenyl)sulfamoyl]benzoic acid has a molecular weight of 367.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2478696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).