1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide

C17H20ClNO2S — CID 2228868

IUPAC1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
SMILESC[C@H](CCc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO2S/c1-14(7-8-15-5-3-2-4-6-15)19-22(20,21)13-16-9-11-17(18)12-10-16/h2-6,9-12,14,19H,7-8,13H2,1H3/t14-/m1/s1
InChIKeyHYFYJVUMWCYCAE-CQSZACIVSA-N
MW337.87 g/mol
LogP3.78
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide

1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide (PubChem CID 2228868) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
PubChem CID2228868
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
SMILESC[C@H](CCc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO2S/c1-14(7-8-15-5-3-2-4-6-15)19-22(20,21)13-16-9-11-17(18)12-10-16/h2-6,9-12,14,19H,7-8,13H2,1H3/t14-/m1/s1
InChIKeyHYFYJVUMWCYCAE-CQSZACIVSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
CID 92646316
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133229252
1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
CID 95733759
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
CID 95968872
3-(diethylsulfamoylamino)butylbenzene
CID 86915461
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
CID 133255349
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 100783987

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide (CID 2228868) is 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide is C[C@H](CCc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide?
The InChIKey is HYFYJVUMWCYCAE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-14(7-8-15-5-3-2-4-6-15)19-22(20,21)13-16-9-11-17(18)12-10-16/h2-6,9-12,14,19H,7-8,13H2,1H3/t14-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide has a molecular weight of 337.87 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide is sourced from PubChem (CID 2228868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).