3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide

C12H7Br2ClFNO2S — CID 104922663

IUPAC3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(F)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C12H7Br2ClFNO2S/c13-7-2-1-3-9(4-7)20(18,19)17-12-10(14)5-8(16)6-11(12)15/h1-6,17H
InChIKeyRLACOTWZSVFIEX-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.80
Rot. Bonds3

About 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide

3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide (PubChem CID 104922663) has the molecular formula C12H7Br2ClFNO2S and a molecular weight of 443.52 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
PubChem CID104922663
Molecular FormulaC12H7Br2ClFNO2S
Molecular Weight443.52 g/mol
Exact Mass440.82
IUPAC Name3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(F)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C12H7Br2ClFNO2S/c13-7-2-1-3-9(4-7)20(18,19)17-12-10(14)5-8(16)6-11(12)15/h1-6,17H
InChIKeyRLACOTWZSVFIEX-UHFFFAOYSA-N
XLogP4.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(2-bromo-6-chloro-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

Related Compounds

2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
4-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzenesulfonamide
CID 83078624
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
N-(2-amino-6-fluorophenyl)-3-bromobenzenesulfonamide
CID 81310122
4-bromo-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzenesulfonamide
CID 82886303
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269382

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide (CID 104922663) is 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1c(Cl)cc(F)cc1Br)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide?
The InChIKey is RLACOTWZSVFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClFNO2S/c13-7-2-1-3-9(4-7)20(18,19)17-12-10(14)5-8(16)6-11(12)15/h1-6,17H.
What are the key properties of 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide?
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide has a molecular weight of 443.52 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 104922663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).