3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide

C16H22ClNO3S — CID 4012085

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO3S/c1-12-4-2-3-5-15(12)18-16(19)10-11-22(20,21)14-8-6-13(17)7-9-14/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,19)
InChIKeyTVEYYJXTRRYEQQ-UHFFFAOYSA-N
MW343.88 g/mol
LogP3.20
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide (PubChem CID 4012085) has the molecular formula C16H22ClNO3S and a molecular weight of 343.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide
PubChem CID4012085
Molecular FormulaC16H22ClNO3S
Molecular Weight343.88 g/mol
Exact Mass343.10
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO3S/c1-12-4-2-3-5-15(12)18-16(19)10-11-22(20,21)14-8-6-13(17)7-9-14/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,19)
InChIKeyTVEYYJXTRRYEQQ-UHFFFAOYSA-N
XLogP3.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide (CID 4012085) is 3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide?
The InChIKey is TVEYYJXTRRYEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3S/c1-12-4-2-3-5-15(12)18-16(19)10-11-22(20,21)14-8-6-13(17)7-9-14/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide has a molecular weight of 343.88 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 4012085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).