2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide

C13H13F2NO3S2 — CID 71787853

IUPAC2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccs1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO3S2/c14-9-3-1-4-10(15)13(9)21(18,19)16-7-6-11(17)12-5-2-8-20-12/h1-5,8,11,16-17H,6-7H2
InChIKeyFIGKLXMDPGKJLX-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.43
Rot. Bonds6

About 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide

2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 71787853) has the molecular formula C13H13F2NO3S2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID71787853
Molecular FormulaC13H13F2NO3S2
Molecular Weight333.38 g/mol
Exact Mass333.03
IUPAC Name2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccs1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO3S2/c14-9-3-1-4-10(15)13(9)21(18,19)16-7-6-11(17)12-5-2-8-20-12/h1-5,8,11,16-17H,6-7H2
InChIKeyFIGKLXMDPGKJLX-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)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 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide (CID 71787853) is 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide is O=S(=O)(NCCC(O)c1cccs1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is FIGKLXMDPGKJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3S2/c14-9-3-1-4-10(15)13(9)21(18,19)16-7-6-11(17)12-5-2-8-20-12/h1-5,8,11,16-17H,6-7H2.
What are the key properties of 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 333.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 71787853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).