4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide

C13H17NO3S — CID 8816993

IUPAC4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@H](C)C2CC2)cc1
InChIInChI=1S/C13H17NO3S/c1-9(11-3-4-11)14-18(16,17)13-7-5-12(6-8-13)10(2)15/h5-9,11,14H,3-4H2,1-2H3/t9-/m1/s1
InChIKeyHCFQNSHFLZZUOO-SECBINFHSA-N
MW267.35 g/mol
LogP1.97
Rot. Bonds5

About 4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide

4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide (PubChem CID 8816993) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
PubChem CID8816993
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@H](C)C2CC2)cc1
InChIInChI=1S/C13H17NO3S/c1-9(11-3-4-11)14-18(16,17)13-7-5-12(6-8-13)10(2)15/h5-9,11,14H,3-4H2,1-2H3/t9-/m1/s1
InChIKeyHCFQNSHFLZZUOO-SECBINFHSA-N
XLogP1.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-[(1R)-1-cyclopropylethyl]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

4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide
CID 43533575
2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8817025
N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823570
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide (CID 8816993) is 4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C2CC2)cc1.
What is the InChIKey of 4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide?
The InChIKey is HCFQNSHFLZZUOO-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9(11-3-4-11)14-18(16,17)13-7-5-12(6-8-13)10(2)15/h5-9,11,14H,3-4H2,1-2H3/t9-/m1/s1.
What are the key properties of 4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide?
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide is sourced from PubChem (CID 8816993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).