3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide

C7H7F2NO3S — CID 146619442

IUPAC3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(F)cc(F)c1O
InChIInChI=1S/C7H7F2NO3S/c1-10-14(12,13)6-3-4(8)2-5(9)7(6)11/h2-3,10-11H,1H3
InChIKeySQWNEPKEVLNMGT-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.58
Rot. Bonds2

About 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide

3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide (PubChem CID 146619442) has the molecular formula C7H7F2NO3S and a molecular weight of 223.20 g/mol. Its IUPAC name is 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide
PubChem CID146619442
Molecular FormulaC7H7F2NO3S
Molecular Weight223.20 g/mol
Exact Mass223.01
IUPAC Name3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(F)cc(F)c1O
InChIInChI=1S/C7H7F2NO3S/c1-10-14(12,13)6-3-4(8)2-5(9)7(6)11/h2-3,10-11H,1H3
InChIKeySQWNEPKEVLNMGT-UHFFFAOYSA-N
XLogP0.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

Analyze 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide 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 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide (CID 146619442) is 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(F)cc(F)c1O.
What is the InChIKey of 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is SQWNEPKEVLNMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3S/c1-10-14(12,13)6-3-4(8)2-5(9)7(6)11/h2-3,10-11H,1H3.
What are the key properties of 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide?
3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 223.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 146619442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).