2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide

C15H14ClNO3S — CID 7899858

IUPAC2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-10-3-5-11(6-4-10)17-15(18)13-9-12(21(2,19)20)7-8-14(13)16/h3-9H,1-2H3,(H,17,18)
InChIKeyXOFSIMOHCCDGAN-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.30
Rot. Bonds3

About 2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide

2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide (PubChem CID 7899858) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
PubChem CID7899858
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-10-3-5-11(6-4-10)17-15(18)13-9-12(21(2,19)20)7-8-14(13)16/h3-9H,1-2H3,(H,17,18)
InChIKeyXOFSIMOHCCDGAN-UHFFFAOYSA-N
XLogP3.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
CID 26289868
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 30753430
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide
CID 34168356
2-chloro-5-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 78769975
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide (CID 7899858) is 2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide is Cc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide?
The InChIKey is XOFSIMOHCCDGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-10-3-5-11(6-4-10)17-15(18)13-9-12(21(2,19)20)7-8-14(13)16/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide?
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide has a molecular weight of 323.80 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide is sourced from PubChem (CID 7899858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).