4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide

C12H9ClFNO3S — CID 63678039

IUPAC4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClFNO3S/c13-8-1-4-10(5-2-8)19(17,18)15-11-6-3-9(14)7-12(11)16/h1-7,15-16H
InChIKeyNTAILBIUFIZRGF-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.99
Rot. Bonds3

About 4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide

4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide (PubChem CID 63678039) has the molecular formula C12H9ClFNO3S and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
PubChem CID63678039
Molecular FormulaC12H9ClFNO3S
Molecular Weight301.73 g/mol
Exact Mass301.00
IUPAC Name4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClFNO3S/c13-8-1-4-10(5-2-8)19(17,18)15-11-6-3-9(14)7-12(11)16/h1-7,15-16H
InChIKeyNTAILBIUFIZRGF-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-chloro-N-(4-fluoro-2-hydroxyphenyl)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 4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide (CID 63678039) is 4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is NTAILBIUFIZRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO3S/c13-8-1-4-10(5-2-8)19(17,18)15-11-6-3-9(14)7-12(11)16/h1-7,15-16H.
What are the key properties of 4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide?
4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 301.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 63678039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).