N-(4-phenylbutan-2-yl)benzenesulfonamide

C16H19NO2S — CID 2914449

IUPACN-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-14(12-13-15-8-4-2-5-9-15)17-20(18,19)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKeyIAXUCJTWIASDPM-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.99
Rot. Bonds6

About N-(4-phenylbutan-2-yl)benzenesulfonamide

N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 2914449) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID2914449
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-14(12-13-15-8-4-2-5-9-15)17-20(18,19)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChIKeyIAXUCJTWIASDPM-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-phenylbutan-2-yl)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-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 2914449) is N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)benzenesulfonamide is CC(CCc1ccccc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is IAXUCJTWIASDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-14(12-13-15-8-4-2-5-9-15)17-20(18,19)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3.
What are the key properties of N-(4-phenylbutan-2-yl)benzenesulfonamide?
N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2914449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).