4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide

C14H18ClNO3S — CID 17456227

IUPAC4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C14H18ClNO3S/c1-20(18,19)13-9-10(7-8-12(13)15)14(17)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyYKBDMYMPPZCQNS-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.81
Rot. Bonds3

About 4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide

4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide (PubChem CID 17456227) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
PubChem CID17456227
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C14H18ClNO3S/c1-20(18,19)13-9-10(7-8-12(13)15)14(17)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyYKBDMYMPPZCQNS-UHFFFAOYSA-N
XLogP2.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopentyl-3-(methylsulfamoyl)benzamide
CID 9213864
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
CID 26244416
4-chloro-N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 9165471
4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214869
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide (CID 17456227) is 4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide?
The InChIKey is YKBDMYMPPZCQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-20(18,19)13-9-10(7-8-12(13)15)14(17)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide?
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide has a molecular weight of 315.82 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 17456227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).