2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide

C15H20ClNO3S — CID 4795148

IUPAC2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C15H20ClNO3S/c1-21(19,20)12-7-8-14(16)13(9-12)15(18)17-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18)
InChIKeyCRXCLBZWVIKKBZ-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide

2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide (PubChem CID 4795148) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide
PubChem CID4795148
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C15H20ClNO3S/c1-21(19,20)12-7-8-14(16)13(9-12)15(18)17-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18)
InChIKeyCRXCLBZWVIKKBZ-UHFFFAOYSA-N
XLogP3.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 34852311
2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
CID 60635034
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide
CID 126507182
2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 2284706
N-benzyl-2,4-dichloro-5-[(dimethylamino)sulfonyl]benzamide
CID 2171497
2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 891386
2-chloro-N-cyclopentyl-5-(methylsulfanyl)benzamide
CID 2451052
2-chloro-5-[cyclohexyl(methyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 2533455
N-(2-acetamidoethyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 2579405
4-chloro-N-(cyclohexylmethyl)-3-sulfamoylbenzamide
CID 4795952
Benzamide, 2-chloro-5-[(diethylamino)sulfonyl]-N-[1-(phenylmethyl)-4-piperidinyl]-, hydrochloride (1:1)
CID 16238000
2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylsulfonylbenzamide
CID 16288818

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide (CID 4795148) is 2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide?
The InChIKey is CRXCLBZWVIKKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-21(19,20)12-7-8-14(16)13(9-12)15(18)17-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide?
2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide has a molecular weight of 329.85 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)-5-methylsulfonylbenzamide is sourced from PubChem (CID 4795148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).