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

C15H11ClN2O3S — CID 26289868

IUPAC2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H11ClN2O3S/c1-22(20,21)12-6-7-14(16)13(8-12)15(19)18-11-4-2-10(9-17)3-5-11/h2-8H,1H3,(H,18,19)
InChIKeyORDQNALAHTXRNN-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.87
Rot. Bonds3

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

2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide (PubChem CID 26289868) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
PubChem CID26289868
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C15H11ClN2O3S/c1-22(20,21)12-6-7-14(16)13(8-12)15(19)18-11-4-2-10(9-17)3-5-11/h2-8H,1H3,(H,18,19)
InChIKeyORDQNALAHTXRNN-UHFFFAOYSA-N
XLogP2.87
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 30753430
2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide
CID 34168356
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
CID 2707587
2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
CID 885545
(4-cyanophenyl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 2502917
2-chloro-5-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 78769975
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
2-chloro-N-(4-cyanophenyl)-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2340317
5-(tert-butylsulfamoyl)-N-(4-cyanophenyl)-2-methylbenzamide
CID 26289902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide (CID 26289868) is 2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide?
The InChIKey is ORDQNALAHTXRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c1-22(20,21)12-6-7-14(16)13(8-12)15(19)18-11-4-2-10(9-17)3-5-11/h2-8H,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide?
2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide has a molecular weight of 334.78 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide is sourced from PubChem (CID 26289868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).