3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide

C16H22ClNO4S — CID 110407206

IUPAC3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C16H22ClNO4S/c1-22-15-8-7-13(11-14(15)17)23(20,21)10-9-16(19)18-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyBXUICNFTDICCOG-UHFFFAOYSA-N
MW359.88 g/mol
LogP2.96
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide (PubChem CID 110407206) has the molecular formula C16H22ClNO4S and a molecular weight of 359.88 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
PubChem CID110407206
Molecular FormulaC16H22ClNO4S
Molecular Weight359.88 g/mol
Exact Mass359.10
IUPAC Name3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C16H22ClNO4S/c1-22-15-8-7-13(11-14(15)17)23(20,21)10-9-16(19)18-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyBXUICNFTDICCOG-UHFFFAOYSA-N
XLogP2.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144351
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-cycloheptylacetamide
CID 3917250
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
CID 92645599
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 110626467
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide
CID 110410741
N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
CID 110423650
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145193
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide (CID 110407206) is 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide?
The InChIKey is BXUICNFTDICCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO4S/c1-22-15-8-7-13(11-14(15)17)23(20,21)10-9-16(19)18-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide?
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide has a molecular weight of 359.88 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide is sourced from PubChem (CID 110407206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).