1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide

C18H22ClNO2S — CID 92646316

IUPAC1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
SMILESCC(C)C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H22ClNO2S/c1-14(2)12-18(16-6-4-3-5-7-16)20-23(21,22)13-15-8-10-17(19)11-9-15/h3-11,14,18,20H,12-13H2,1-2H3/t18-/m1/s1
InChIKeyTTYOBGUNVOGHLV-GOSISDBHSA-N
MW351.90 g/mol
LogP4.55
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide

1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide (PubChem CID 92646316) has the molecular formula C18H22ClNO2S and a molecular weight of 351.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
PubChem CID92646316
Molecular FormulaC18H22ClNO2S
Molecular Weight351.90 g/mol
Exact Mass351.11
IUPAC Name1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
SMILESCC(C)C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H22ClNO2S/c1-14(2)12-18(16-6-4-3-5-7-16)20-23(21,22)13-15-8-10-17(19)11-9-15/h3-11,14,18,20H,12-13H2,1-2H3/t18-/m1/s1
InChIKeyTTYOBGUNVOGHLV-GOSISDBHSA-N
XLogP4.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133229252
3-chloro-2-methyl-N-(3-methyl-1-phenylbutyl)propane-1-sulfonamide
CID 79586380
N-[(1R)-3-methyl-1-phenylbutyl]-1-(3-nitrophenyl)methanesulfonamide
CID 38020360
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868
N-(2-amino-1,2-diphenylethyl)-1-(4-chlorophenyl)methanesulfonamide
CID 59537526
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
CID 46778569
1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 43886465
2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21156472
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 133160729

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide (CID 92646316) is 1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide is CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide?
The InChIKey is TTYOBGUNVOGHLV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22ClNO2S/c1-14(2)12-18(16-6-4-3-5-7-16)20-23(21,22)13-15-8-10-17(19)11-9-15/h3-11,14,18,20H,12-13H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide has a molecular weight of 351.90 g/mol, XLogP of 4.55, 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-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide is sourced from PubChem (CID 92646316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).