3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide

C12H7Br2ClFNO2S — CID 106606106

IUPAC3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Br)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H7Br2ClFNO2S/c13-9-6-8(2-3-11(9)15)20(18,19)17-7-1-4-12(16)10(14)5-7/h1-6,17H
InChIKeyHXAOCZFFMQQSCF-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.80
Rot. Bonds3

About 3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide

3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide (PubChem CID 106606106) has the molecular formula C12H7Br2ClFNO2S and a molecular weight of 443.52 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
PubChem CID106606106
Molecular FormulaC12H7Br2ClFNO2S
Molecular Weight443.52 g/mol
Exact Mass440.82
IUPAC Name3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Br)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H7Br2ClFNO2S/c13-9-6-8(2-3-11(9)15)20(18,19)17-7-1-4-12(16)10(14)5-7/h1-6,17H
InChIKeyHXAOCZFFMQQSCF-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

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Related Compounds

4-amino-3-bromo-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775504
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
3-amino-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104775518
3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 106612798
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605012
N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 104780385
N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088310
N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
CID 64788086
N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of 3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide (CID 106606106) is 3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)c(Br)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide?
The InChIKey is HXAOCZFFMQQSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClFNO2S/c13-9-6-8(2-3-11(9)15)20(18,19)17-7-1-4-12(16)10(14)5-7/h1-6,17H.
What are the key properties of 3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide?
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide 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-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106606106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).