3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide

C14H13ClN2O3S — CID 2107273

IUPAC3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O3S/c15-12-3-1-2-11(8-12)14(18)17-9-10-4-6-13(7-5-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyUQWVGWGUTHRBLP-UHFFFAOYSA-N
MW324.79 g/mol
LogP1.92
Rot. Bonds4

About 3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide

3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 2107273) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID2107273
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O3S/c15-12-3-1-2-11(8-12)14(18)17-9-10-4-6-13(7-5-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyUQWVGWGUTHRBLP-UHFFFAOYSA-N
XLogP1.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 2107273) is 3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is UQWVGWGUTHRBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-12-3-1-2-11(8-12)14(18)17-9-10-4-6-13(7-5-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20).
What are the key properties of 3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide?
3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 324.79 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 2107273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).