4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide

C13H8BrClFNO3S — CID 11411362

IUPAC4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C13H8BrClFNO3S/c14-8-1-6-11(12(16)7-8)13(18)17-21(19,20)10-4-2-9(15)3-5-10/h1-7H,(H,17,18)
InChIKeyKETJDRYTKKQGOC-UHFFFAOYSA-N
MW392.63 g/mol
LogP3.36
Rot. Bonds3

About 4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide

4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide (PubChem CID 11411362) has the molecular formula C13H8BrClFNO3S and a molecular weight of 392.63 g/mol. Its IUPAC name is 4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide
PubChem CID11411362
Molecular FormulaC13H8BrClFNO3S
Molecular Weight392.63 g/mol
Exact Mass390.91
IUPAC Name4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C13H8BrClFNO3S/c14-8-1-6-11(12(16)7-8)13(18)17-21(19,20)10-4-2-9(15)3-5-10/h1-7H,(H,17,18)
InChIKeyKETJDRYTKKQGOC-UHFFFAOYSA-N
XLogP3.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide 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-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide (CID 11411362) is 4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide?
The InChIKey is KETJDRYTKKQGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO3S/c14-8-1-6-11(12(16)7-8)13(18)17-21(19,20)10-4-2-9(15)3-5-10/h1-7H,(H,17,18).
What are the key properties of 4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide?
4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide has a molecular weight of 392.63 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chlorophenyl)sulfonyl-2-fluorobenzamide is sourced from PubChem (CID 11411362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).