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

C12H8ClF2NO3S — CID 3811759

IUPAC2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1F)c1ccc(F)cc1Cl
InChIInChI=1S/C12H8ClF2NO3S/c13-9-5-7(14)1-4-12(9)20(18,19)16-11-3-2-8(17)6-10(11)15/h1-6,16-17H
InChIKeyKREXBPAOQDSEKB-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.12
Rot. Bonds3

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

2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide (PubChem CID 3811759) has the molecular formula C12H8ClF2NO3S and a molecular weight of 319.72 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide
PubChem CID3811759
Molecular FormulaC12H8ClF2NO3S
Molecular Weight319.72 g/mol
Exact Mass318.99
IUPAC Name2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1F)c1ccc(F)cc1Cl
InChIInChI=1S/C12H8ClF2NO3S/c13-9-5-7(14)1-4-12(9)20(18,19)16-11-3-2-8(17)6-10(11)15/h1-6,16-17H
InChIKeyKREXBPAOQDSEKB-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-chloro-4-fluoro-N-(2-fluoro-4-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

Related Compounds

N-(4-Hydroxyphenyl)benzenesulfonamide
CID 79622
4-chloro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 682167
N-(3,5-Dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 103960
N-(4-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 800888
N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide
CID 874861
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 787157
4-chloro-2,3,5-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485023
4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide
CID 23077804
4-chloro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 885070
2-(2,3-Dichloro-benzenesulfonylamino)-5-hydroxy-benzenesulfonamide
CID 57750987
N-(3-bromo-4-hydroxyphenyl)-4-chlorobenzenesulfonamide
CID 1070505

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide (CID 3811759) is 2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)cc1F)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is KREXBPAOQDSEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO3S/c13-9-5-7(14)1-4-12(9)20(18,19)16-11-3-2-8(17)6-10(11)15/h1-6,16-17H.
What are the key properties of 2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide?
2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 319.72 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3811759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).