N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide

C12H7BrClF2NO2S — CID 104922640

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C12H7BrClF2NO2S/c13-8-5-7(15)6-9(14)12(8)17-20(18,19)11-4-2-1-3-10(11)16/h1-6,17H
InChIKeyQFAKSWFHAGUZOT-UHFFFAOYSA-N
MW382.61 g/mol
LogP4.18
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide (PubChem CID 104922640) has the molecular formula C12H7BrClF2NO2S and a molecular weight of 382.61 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
PubChem CID104922640
Molecular FormulaC12H7BrClF2NO2S
Molecular Weight382.61 g/mol
Exact Mass380.90
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C12H7BrClF2NO2S/c13-8-5-7(15)6-9(14)12(8)17-20(18,19)11-4-2-1-3-10(11)16/h1-6,17H
InChIKeyQFAKSWFHAGUZOT-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62142695
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide
CID 82888797
N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269382
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide (CID 104922640) is N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1c(Cl)cc(F)cc1Br)c1ccccc1F.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is QFAKSWFHAGUZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2NO2S/c13-8-5-7(15)6-9(14)12(8)17-20(18,19)11-4-2-1-3-10(11)16/h1-6,17H.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 382.61 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 104922640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).