2,5-dichloro-4-fluorobenzenesulfonamide

C6H4Cl2FNO2S — CID 119011534

IUPAC2,5-dichloro-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(F)cc1Cl
InChIInChI=1S/C6H4Cl2FNO2S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,(H2,10,11,12)
InChIKeyCJILQZLHKHRXGK-UHFFFAOYSA-N
MW244.07 g/mol
LogP1.78
Rot. Bonds1

About 2,5-dichloro-4-fluorobenzenesulfonamide

2,5-dichloro-4-fluorobenzenesulfonamide (PubChem CID 119011534) has the molecular formula C6H4Cl2FNO2S and a molecular weight of 244.07 g/mol. Its IUPAC name is 2,5-dichloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-fluorobenzenesulfonamide
PubChem CID119011534
Molecular FormulaC6H4Cl2FNO2S
Molecular Weight244.07 g/mol
Exact Mass242.93
IUPAC Name2,5-dichloro-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(F)cc1Cl
InChIInChI=1S/C6H4Cl2FNO2S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,(H2,10,11,12)
InChIKeyCJILQZLHKHRXGK-UHFFFAOYSA-N
XLogP1.78
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,5-dichloro-4-fluorobenzenesulfonamide 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-4-fluorobenzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-fluorobenzenesulfonamide (CID 119011534) is 2,5-dichloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-fluorobenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(F)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-fluorobenzenesulfonamide?
The InChIKey is CJILQZLHKHRXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2FNO2S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,(H2,10,11,12).
What are the key properties of 2,5-dichloro-4-fluorobenzenesulfonamide?
2,5-dichloro-4-fluorobenzenesulfonamide has a molecular weight of 244.07 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 119011534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).