N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide

C13H9BrClF2NO2S — CID 104922677

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H9BrClF2NO2S/c1-7-2-3-8(16)6-12(7)21(19,20)18-13-10(14)4-9(17)5-11(13)15/h2-6,18H,1H3
InChIKeyOTOUQJGEDIUYQQ-UHFFFAOYSA-N
MW396.64 g/mol
LogP4.49
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 104922677) has the molecular formula C13H9BrClF2NO2S and a molecular weight of 396.64 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID104922677
Molecular FormulaC13H9BrClF2NO2S
Molecular Weight396.64 g/mol
Exact Mass394.92
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H9BrClF2NO2S/c1-7-2-3-8(16)6-12(7)21(19,20)18-13-10(14)4-9(17)5-11(13)15/h2-6,18H,1H3
InChIKeyOTOUQJGEDIUYQQ-UHFFFAOYSA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.64
LogP ≤ 54.49
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-fluorobenzenesulfonamide
CID 104922640
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
CID 60661133
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3698750
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide (CID 104922677) is N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is OTOUQJGEDIUYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2NO2S/c1-7-2-3-8(16)6-12(7)21(19,20)18-13-10(14)4-9(17)5-11(13)15/h2-6,18H,1H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 396.64 g/mol, XLogP of 4.49, 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)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 104922677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).