3-phenyl-2-sulfamoylbenzamide;hydrochloride

C13H13ClN2O3S — CID 141093499

IUPAC3-phenyl-2-sulfamoylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2ccccc2)c1S(N)(=O)=O
InChIInChI=1S/C13H12N2O3S.ClH/c14-13(16)11-8-4-7-10(12(11)19(15,17)18)9-5-2-1-3-6-9;/h1-8H,(H2,14,16)(H2,15,17,18);1H
InChIKeyITWUUANRYHAYGB-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.52
Rot. Bonds3

About 3-phenyl-2-sulfamoylbenzamide;hydrochloride

3-phenyl-2-sulfamoylbenzamide;hydrochloride (PubChem CID 141093499) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 3-phenyl-2-sulfamoylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-phenyl-2-sulfamoylbenzamide;hydrochloride
PubChem CID141093499
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name3-phenyl-2-sulfamoylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2ccccc2)c1S(N)(=O)=O
InChIInChI=1S/C13H12N2O3S.ClH/c14-13(16)11-8-4-7-10(12(11)19(15,17)18)9-5-2-1-3-6-9;/h1-8H,(H2,14,16)(H2,15,17,18);1H
InChIKeyITWUUANRYHAYGB-UHFFFAOYSA-N
XLogP1.52
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-2-sulfamoylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-sulfamoylbenzamide;hydrochloride?
The IUPAC name of 3-phenyl-2-sulfamoylbenzamide;hydrochloride (CID 141093499) is 3-phenyl-2-sulfamoylbenzamide;hydrochloride.
What is the SMILES notation for 3-phenyl-2-sulfamoylbenzamide;hydrochloride?
The canonical SMILES for 3-phenyl-2-sulfamoylbenzamide;hydrochloride is Cl.NC(=O)c1cccc(-c2ccccc2)c1S(N)(=O)=O.
What is the InChIKey of 3-phenyl-2-sulfamoylbenzamide;hydrochloride?
The InChIKey is ITWUUANRYHAYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S.ClH/c14-13(16)11-8-4-7-10(12(11)19(15,17)18)9-5-2-1-3-6-9;/h1-8H,(H2,14,16)(H2,15,17,18);1H.
What are the key properties of 3-phenyl-2-sulfamoylbenzamide;hydrochloride?
3-phenyl-2-sulfamoylbenzamide;hydrochloride has a molecular weight of 312.78 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-sulfamoylbenzamide;hydrochloride is sourced from PubChem (CID 141093499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).