1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide

C16H18ClNO2S — CID 92673614

IUPAC1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2S/c1-12-7-9-14(10-8-12)13(2)18-21(19,20)11-15-5-3-4-6-16(15)17/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1
InChIKeyDOASFLVLWVOQGK-CYBMUJFWSA-N
MW323.85 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide (PubChem CID 92673614) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
PubChem CID92673614
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2S/c1-12-7-9-14(10-8-12)13(2)18-21(19,20)11-15-5-3-4-6-16(15)17/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1
InChIKeyDOASFLVLWVOQGK-CYBMUJFWSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
CID 95968877
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 62020361
1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 92646385
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
CID 17257591
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 93487532
1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 107864041
1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide
CID 3647642

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide (CID 92673614) is 1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide is Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is DOASFLVLWVOQGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-12-7-9-14(10-8-12)13(2)18-21(19,20)11-15-5-3-4-6-16(15)17/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 92673614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).