N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide

C12H9BrClFN2O2S — CID 103300420

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ncccc2F)cc1Cl
InChIInChI=1S/C12H9BrClFN2O2S/c1-7-5-8(13)11(6-9(7)14)17-20(18,19)12-10(15)3-2-4-16-12/h2-6,17H,1H3
InChIKeyJJQGXGFNXQBFGN-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.75
Rot. Bonds3

About N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide

N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103300420) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103300420
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2ncccc2F)cc1Cl
InChIInChI=1S/C12H9BrClFN2O2S/c1-7-5-8(13)11(6-9(7)14)17-20(18,19)12-10(15)3-2-4-16-12/h2-6,17H,1H3
InChIKeyJJQGXGFNXQBFGN-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103300294
N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300344
N-(2-bromo-5-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 107625069
N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103585478
N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 104724505
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299113
N-(2,3-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299163
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
N-(4-bromo-5-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103307734
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide (CID 103300420) is N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2ncccc2F)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is JJQGXGFNXQBFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c1-7-5-8(13)11(6-9(7)14)17-20(18,19)12-10(15)3-2-4-16-12/h2-6,17H,1H3.
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide?
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 379.64 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103300420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).