2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide

C15H21ClN2O3S2 — CID 99784515

IUPAC2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide
SMILESCS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3S2/c1-23(20,21)18-13-8-4-3-7-12(13)17-15(19)10-22-14-9-5-2-6-11(14)16/h2,5-6,9,12-13,18H,3-4,7-8,10H2,1H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyWXEXPVACHMXUTE-OLZOCXBDSA-N
MW376.93 g/mol
LogP2.41
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide

2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide (PubChem CID 99784515) has the molecular formula C15H21ClN2O3S2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide
PubChem CID99784515
Molecular FormulaC15H21ClN2O3S2
Molecular Weight376.93 g/mol
Exact Mass376.07
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide
SMILESCS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3S2/c1-23(20,21)18-13-8-4-3-7-12(13)17-15(19)10-22-14-9-5-2-6-11(14)16/h2,5-6,9,12-13,18H,3-4,7-8,10H2,1H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyWXEXPVACHMXUTE-OLZOCXBDSA-N
XLogP2.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 3590753
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246
2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414053
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 64812300
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide (CID 99784515) is 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide is CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide?
The InChIKey is WXEXPVACHMXUTE-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21ClN2O3S2/c1-23(20,21)18-13-8-4-3-7-12(13)17-15(19)10-22-14-9-5-2-6-11(14)16/h2,5-6,9,12-13,18H,3-4,7-8,10H2,1H3,(H,17,19)/t12-,13+/m1/s1.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide has a molecular weight of 376.93 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide is sourced from PubChem (CID 99784515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).