1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide

C17H20ClNO2S — CID 92646385

IUPAC1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)c(C)c1
InChIInChI=1S/C17H20ClNO2S/c1-12-8-9-16(13(2)10-12)14(3)19-22(20,21)11-15-6-4-5-7-17(15)18/h4-10,14,19H,11H2,1-3H3/t14-/m0/s1
InChIKeyZIXPRLRONVAHFB-AWEZNQCLSA-N
MW337.87 g/mol
LogP4.14
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide (PubChem CID 92646385) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
PubChem CID92646385
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)c(C)c1
InChIInChI=1S/C17H20ClNO2S/c1-12-8-9-16(13(2)10-12)14(3)19-22(20,21)11-15-6-4-5-7-17(15)18/h4-10,14,19H,11H2,1-3H3/t14-/m0/s1
InChIKeyZIXPRLRONVAHFB-AWEZNQCLSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
CID 95968877
1-(2-chloro-4-methylphenyl)-N-propan-2-ylmethanesulfonamide
CID 140936519
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
N-[1-(2,4-dimethylphenyl)ethyl]butane-1-sulfonamide
CID 22201065
1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
CID 17257591
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 133186546
2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22201049
1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide
CID 3647642
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079
1-(2-chlorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824558
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
CID 95706524

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide (CID 92646385) is 1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide is Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)c(C)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide?
The InChIKey is ZIXPRLRONVAHFB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-12-8-9-16(13(2)10-12)14(3)19-22(20,21)11-15-6-4-5-7-17(15)18/h4-10,14,19H,11H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide has a molecular weight of 337.87 g/mol, XLogP of 4.14, 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-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 92646385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).