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

C16H18FNO2S — CID 3715583

IUPAC2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H18FNO2S/c1-13(11-12-14-7-3-2-4-8-14)18-21(19,20)16-10-6-5-9-15(16)17/h2-10,13,18H,11-12H2,1H3
InChIKeyLYJHKJKWEWOHAW-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.13
Rot. Bonds6

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

2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 3715583) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID3715583
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H18FNO2S/c1-13(11-12-14-7-3-2-4-8-14)18-21(19,20)16-10-6-5-9-15(16)17/h2-10,13,18H,11-12H2,1H3
InChIKeyLYJHKJKWEWOHAW-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-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 2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 3715583) is 2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide is CC(CCc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is LYJHKJKWEWOHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-13(11-12-14-7-3-2-4-8-14)18-21(19,20)16-10-6-5-9-15(16)17/h2-10,13,18H,11-12H2,1H3.
What are the key properties of 2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide?
2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3715583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).