N-(3-chlorophenyl)-4-methylsulfonylbenzamide

C14H12ClNO3S — CID 2747546

IUPACN-(3-chlorophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO3S/c1-20(18,19)13-7-5-10(6-8-13)14(17)16-12-4-2-3-11(15)9-12/h2-9H,1H3,(H,16,17)
InChIKeyBBWUQSWQCVCFCJ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.00
Rot. Bonds3

About N-(3-chlorophenyl)-4-methylsulfonylbenzamide

N-(3-chlorophenyl)-4-methylsulfonylbenzamide (PubChem CID 2747546) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methylsulfonylbenzamide
PubChem CID2747546
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC NameN-(3-chlorophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO3S/c1-20(18,19)13-7-5-10(6-8-13)14(17)16-12-4-2-3-11(15)9-12/h2-9H,1H3,(H,16,17)
InChIKeyBBWUQSWQCVCFCJ-UHFFFAOYSA-N
XLogP3.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-4-methylsulfonylbenzamide 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 N-(3-chlorophenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-4-methylsulfonylbenzamide (CID 2747546) is N-(3-chlorophenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-methylsulfonylbenzamide?
The InChIKey is BBWUQSWQCVCFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-20(18,19)13-7-5-10(6-8-13)14(17)16-12-4-2-3-11(15)9-12/h2-9H,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-4-methylsulfonylbenzamide?
N-(3-chlorophenyl)-4-methylsulfonylbenzamide has a molecular weight of 309.77 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 2747546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).