2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide

C16H23ClN2O3S — CID 1263934

IUPAC2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
SMILESCCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-2-19(12-16(20)18-14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeyUUMJUIIANMQHPX-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.80
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide (PubChem CID 1263934) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
PubChem CID1263934
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
SMILESCCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-2-19(12-16(20)18-14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeyUUMJUIIANMQHPX-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-((cyclohexylamino)carbonyl)benzenesulfonamide
CID 70403
(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide
CID 71455079
(2R)-2-[(4-chlorophenyl)sulfonyl-(3-phenylpropyl)amino]-4-methylpentanamide
CID 71456880
4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5178492
4-((2-Chlorophenyl)sulfonyl)piperazin-2-one
CID 7509966
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide
CID 8145904
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 11111892
4-chloro-N-(3-methylbutyl)-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444081
4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(3-phenylpropyl)benzenesulfonamide
CID 44444087
4-Chloro-N-(2-oxo-azepan-3-yl)-benzenesulfonamide
CID 2738683

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide (CID 1263934) is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide is CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
The InChIKey is UUMJUIIANMQHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-2-19(12-16(20)18-14-6-4-3-5-7-14)23(21,22)15-10-8-13(17)9-11-15/h8-11,14H,2-7,12H2,1H3,(H,18,20).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide?
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide has a molecular weight of 358.89 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 1263934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).