4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide

C14H12ClFN2O4S2 — CID 76869846

IUPAC4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H12ClFN2O4S2/c15-11-3-1-10(2-4-11)7-8-23(19,20)18-14-6-5-12(9-13(14)16)24(17,21)22/h1-9,18H,(H2,17,21,22)
InChIKeyKNGXRAMGSASQNV-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.54
Rot. Bonds5

About 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide

4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide (PubChem CID 76869846) has the molecular formula C14H12ClFN2O4S2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
PubChem CID76869846
Molecular FormulaC14H12ClFN2O4S2
Molecular Weight390.85 g/mol
Exact Mass389.99
IUPAC Name4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H12ClFN2O4S2/c15-11-3-1-10(2-4-11)7-8-23(19,20)18-14-6-5-12(9-13(14)16)24(17,21)22/h1-9,18H,(H2,17,21,22)
InChIKeyKNGXRAMGSASQNV-UHFFFAOYSA-N
XLogP2.54
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-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 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide (CID 76869846) is 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide?
The InChIKey is KNGXRAMGSASQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O4S2/c15-11-3-1-10(2-4-11)7-8-23(19,20)18-14-6-5-12(9-13(14)16)24(17,21)22/h1-9,18H,(H2,17,21,22).
What are the key properties of 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide?
4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide has a molecular weight of 390.85 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 76869846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).