4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide

C16H17NO3S — CID 2416651

IUPAC4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-12(14-6-4-3-5-7-14)17-21(19,20)16-10-8-15(9-11-16)13(2)18/h3-12,17H,1-2H3/t12-/m0/s1
InChIKeyFTXWMCVZCMDTAO-LBPRGKRZSA-N
MW303.38 g/mol
LogP2.93
Rot. Bonds5

About 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide

4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 2416651) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID2416651
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-12(14-6-4-3-5-7-14)17-21(19,20)16-10-8-15(9-11-16)13(2)18/h3-12,17H,1-2H3/t12-/m0/s1
InChIKeyFTXWMCVZCMDTAO-LBPRGKRZSA-N
XLogP2.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide 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

N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 55703432
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
1-[4-(1-phenylethylsulfonyl)phenyl]ethanone
CID 82165495
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 2416651) is 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is FTXWMCVZCMDTAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12(14-6-4-3-5-7-14)17-21(19,20)16-10-8-15(9-11-16)13(2)18/h3-12,17H,1-2H3/t12-/m0/s1.
What are the key properties of 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 2416651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).