2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide

C15H16FNO3S — CID 21078473

IUPAC2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1F)C(O)c1ccccc1
InChIInChI=1S/C15H16FNO3S/c1-11(15(18)12-7-3-2-4-8-12)17-21(19,20)14-10-6-5-9-13(14)16/h2-11,15,17-18H,1H3
InChIKeyCKICDJNXYFTPDR-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.23
Rot. Bonds5

About 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide

2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 21078473) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide
PubChem CID21078473
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1F)C(O)c1ccccc1
InChIInChI=1S/C15H16FNO3S/c1-11(15(18)12-7-3-2-4-8-12)17-21(19,20)14-10-6-5-9-13(14)16/h2-11,15,17-18H,1H3
InChIKeyCKICDJNXYFTPDR-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-(1-hydroxy-1-phenylpropan-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-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide (CID 21078473) is 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1F)C(O)c1ccccc1.
What is the InChIKey of 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is CKICDJNXYFTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-11(15(18)12-7-3-2-4-8-12)17-21(19,20)14-10-6-5-9-13(14)16/h2-11,15,17-18H,1H3.
What are the key properties of 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide?
2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 21078473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).