4-acetyl-N-propylbenzenesulfonamide

C11H15NO3S — CID 2064043

IUPAC4-acetyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C11H15NO3S/c1-3-8-12-16(14,15)11-6-4-10(5-7-11)9(2)13/h4-7,12H,3,8H2,1-2H3
InChIKeyOIJSAULUVFXUGK-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.58
Rot. Bonds5

About 4-acetyl-N-propylbenzenesulfonamide

4-acetyl-N-propylbenzenesulfonamide (PubChem CID 2064043) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-acetyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-propylbenzenesulfonamide
PubChem CID2064043
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-acetyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C11H15NO3S/c1-3-8-12-16(14,15)11-6-4-10(5-7-11)9(2)13/h4-7,12H,3,8H2,1-2H3
InChIKeyOIJSAULUVFXUGK-UHFFFAOYSA-N
XLogP1.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
(2S)-4-[(4-acetylphenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934017
5-acetyl-2-methyl-N-propylbenzenesulfonamide
CID 39357440
4-acetyl-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 115604223
4-[(E)-N-ethoxy-C-methylcarbonimidoyl]-N-propylbenzenesulfonamide
CID 42924870
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
4-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523493
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide
CID 55167882
2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 120602769

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-propylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-propylbenzenesulfonamide (CID 2064043) is 4-acetyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-propylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-propylbenzenesulfonamide?
The InChIKey is OIJSAULUVFXUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-8-12-16(14,15)11-6-4-10(5-7-11)9(2)13/h4-7,12H,3,8H2,1-2H3.
What are the key properties of 4-acetyl-N-propylbenzenesulfonamide?
4-acetyl-N-propylbenzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 2064043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).