2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide

C16H22ClNO3S — CID 78852588

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)(=O)Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C16H22ClNO3S/c1-18(15-5-3-2-4-6-15)16(19)12-22(20,21)11-13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKeyOIPVHWMGMRHJRO-UHFFFAOYSA-N
MW343.88 g/mol
LogP3.05
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide

2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide (PubChem CID 78852588) has the molecular formula C16H22ClNO3S and a molecular weight of 343.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
PubChem CID78852588
Molecular FormulaC16H22ClNO3S
Molecular Weight343.88 g/mol
Exact Mass343.10
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CS(=O)(=O)Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C16H22ClNO3S/c1-18(15-5-3-2-4-6-15)16(19)12-22(20,21)11-13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKeyOIPVHWMGMRHJRO-UHFFFAOYSA-N
XLogP3.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 78852248
2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
CID 78852410
2-[(4-bromophenyl)methylsulfonyl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 112826333
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076157
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
N-cyclohexyl-2-(2,5-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 28633074
N-cyclopentyl-2-cyclopentylsulfonyl-N-methylacetamide
CID 166187779
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
2-(3-cyanopropylsulfonyl)-N-cyclohexyl-N-methylacetamide
CID 82183152
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide
CID 46770900

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide (CID 78852588) is 2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)CS(=O)(=O)Cc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is OIPVHWMGMRHJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3S/c1-18(15-5-3-2-4-6-15)16(19)12-22(20,21)11-13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide?
2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 343.88 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 78852588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).