2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

C12H12FNO3S2 — CID 90496558

IUPAC2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1ccccc1F
InChIInChI=1S/C12H12FNO3S2/c13-10-3-1-2-4-12(10)19(16,17)14-7-11(15)9-5-6-18-8-9/h1-6,8,11,14-15H,7H2
InChIKeyPUHJJQWWRXGZSX-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.90
Rot. Bonds5

About 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 90496558) has the molecular formula C12H12FNO3S2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID90496558
Molecular FormulaC12H12FNO3S2
Molecular Weight301.36 g/mol
Exact Mass301.02
IUPAC Name2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1ccccc1F
InChIInChI=1S/C12H12FNO3S2/c13-10-3-1-2-4-12(10)19(16,17)14-7-11(15)9-5-6-18-8-9/h1-6,8,11,14-15H,7H2
InChIKeyPUHJJQWWRXGZSX-UHFFFAOYSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)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-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (CID 90496558) is 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1ccsc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is PUHJJQWWRXGZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S2/c13-10-3-1-2-4-12(10)19(16,17)14-7-11(15)9-5-6-18-8-9/h1-6,8,11,14-15H,7H2.
What are the key properties of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 301.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90496558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).