N-(2-chlorophenyl)-4-methylsulfonylbenzamide

C14H12ClNO3S — CID 2747545

IUPACN-(2-chlorophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-20(18,19)11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15/h2-9H,1H3,(H,16,17)
InChIKeyIZWJJDAFDSBMNF-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.00
Rot. Bonds3

About N-(2-chlorophenyl)-4-methylsulfonylbenzamide

N-(2-chlorophenyl)-4-methylsulfonylbenzamide (PubChem CID 2747545) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-methylsulfonylbenzamide
PubChem CID2747545
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC NameN-(2-chlorophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-20(18,19)11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15/h2-9H,1H3,(H,16,17)
InChIKeyIZWJJDAFDSBMNF-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

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Related Compounds

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CID 3051968
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CID 2455664
4-chloro-N-(3-sulfamoylphenyl)benzamide
CID 3564294
E-6-Chloro-3-[[4-(methylsulfonyl)phenyl]methylene]-indolin-2-one
CID 52946328
N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 716758
N-(2-chlorophenyl)-2-(2-oxo-2-phenylethylthio)acetamide
CID 704439
N-(2-chlorophenyl)-2-[(methylsulfonyl)amino]benzamide
CID 848432
N-(4-chlorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 877170
2-chloro-N-(2-methylphenyl)-5-(phenylsulfonyl)benzamide
CID 992292
3-Chloro-N-(5-cyano-2-(methylsulfanyl)phenyl)benzenecarboxamide
CID 1471768
2,3-dichloro-4-(ethylsulfonyl)-N-phenylbenzenecarboxamide
CID 1489719

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(2-chlorophenyl)-4-methylsulfonylbenzamide (CID 2747545) is N-(2-chlorophenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-methylsulfonylbenzamide?
The InChIKey is IZWJJDAFDSBMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-20(18,19)11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15/h2-9H,1H3,(H,16,17).
What are the key properties of N-(2-chlorophenyl)-4-methylsulfonylbenzamide?
N-(2-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-(2-chlorophenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 2747545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).