2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide

C12H8Cl2FNO2S — CID 573542

IUPAC2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2FNO2S/c13-8-1-6-11(14)12(7-8)19(17,18)16-10-4-2-9(15)3-5-10/h1-7,16H
InChIKeyQNXMSIXPESBJCL-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.93
Rot. Bonds3

About 2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide

2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 573542) has the molecular formula C12H8Cl2FNO2S and a molecular weight of 320.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID573542
Molecular FormulaC12H8Cl2FNO2S
Molecular Weight320.17 g/mol
Exact Mass318.96
IUPAC Name2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2FNO2S/c13-8-1-6-11(14)12(7-8)19(17,18)16-10-4-2-9(15)3-5-10/h1-7,16H
InChIKeyQNXMSIXPESBJCL-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-N-(4-fluorophenyl)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 2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide (CID 573542) is 2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is QNXMSIXPESBJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO2S/c13-8-1-6-11(14)12(7-8)19(17,18)16-10-4-2-9(15)3-5-10/h1-7,16H.
What are the key properties of 2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide?
2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 320.17 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 573542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).