N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide

C17H19NO3S — CID 11493427

IUPACN-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide
SMILESCC(=O)[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(14(2)19)17(15-9-5-3-6-10-15)18-22(20,21)16-11-7-4-8-12-16/h3-13,17-18H,1-2H3/t13-,17+/m1/s1
InChIKeyFEZPSTQUTNJBRO-DYVFJYSZSA-N
MW317.41 g/mol
LogP2.93
Rot. Bonds6

About N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide

N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide (PubChem CID 11493427) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide
PubChem CID11493427
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide
SMILESCC(=O)[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13(14(2)19)17(15-9-5-3-6-10-15)18-22(20,21)16-11-7-4-8-12-16/h3-13,17-18H,1-2H3/t13-,17+/m1/s1
InChIKeyFEZPSTQUTNJBRO-DYVFJYSZSA-N
XLogP2.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide (CID 11493427) is N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide is CC(=O)[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide?
The InChIKey is FEZPSTQUTNJBRO-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13(14(2)19)17(15-9-5-3-6-10-15)18-22(20,21)16-11-7-4-8-12-16/h3-13,17-18H,1-2H3/t13-,17+/m1/s1.
What are the key properties of N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide?
N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methyl-3-oxo-1-phenylbutyl]benzenesulfonamide is sourced from PubChem (CID 11493427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).