N-(4-acetylphenyl)butane-1-sulfonamide

C12H17NO3S — CID 22774797

IUPACN-(4-acetylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-3-4-9-17(15,16)13-12-7-5-11(6-8-12)10(2)14/h5-8,13H,3-4,9H2,1-2H3
InChIKeyFBFLAOXAZVYFNT-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.43
Rot. Bonds6

About N-(4-acetylphenyl)butane-1-sulfonamide

N-(4-acetylphenyl)butane-1-sulfonamide (PubChem CID 22774797) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)butane-1-sulfonamide
PubChem CID22774797
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(4-acetylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-3-4-9-17(15,16)13-12-7-5-11(6-8-12)10(2)14/h5-8,13H,3-4,9H2,1-2H3
InChIKeyFBFLAOXAZVYFNT-UHFFFAOYSA-N
XLogP2.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-acetylphenyl)butane-1-sulfonamide 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-(4-acetylphenyl)butane-1-sulfonamide?
The IUPAC name of N-(4-acetylphenyl)butane-1-sulfonamide (CID 22774797) is N-(4-acetylphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(4-acetylphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)butane-1-sulfonamide?
The InChIKey is FBFLAOXAZVYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-4-9-17(15,16)13-12-7-5-11(6-8-12)10(2)14/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of N-(4-acetylphenyl)butane-1-sulfonamide?
N-(4-acetylphenyl)butane-1-sulfonamide has a molecular weight of 255.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 22774797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).