4-fluoro-N-propan-2-ylbenzenesulfonamide

C9H12FNO2S — CID 799031

IUPAC4-fluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO2S/c1-7(2)11-14(12,13)9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKeyVCQVCWMGKZCDLZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.51
Rot. Bonds3

About 4-fluoro-N-propan-2-ylbenzenesulfonamide

4-fluoro-N-propan-2-ylbenzenesulfonamide (PubChem CID 799031) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-fluoro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-propan-2-ylbenzenesulfonamide
PubChem CID799031
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name4-fluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO2S/c1-7(2)11-14(12,13)9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKeyVCQVCWMGKZCDLZ-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-propan-2-ylbenzenesulfonamide 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 4-fluoro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-propan-2-ylbenzenesulfonamide (CID 799031) is 4-fluoro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VCQVCWMGKZCDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-7(2)11-14(12,13)9-5-3-8(10)4-6-9/h3-7,11H,1-2H3.
What are the key properties of 4-fluoro-N-propan-2-ylbenzenesulfonamide?
4-fluoro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 217.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 799031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).