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

C12H10BrFN2O2S — CID 103300344

IUPACN-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2ncccc2F)c1
InChIInChI=1S/C12H10BrFN2O2S/c1-8-4-5-9(13)11(7-8)16-19(17,18)12-10(14)3-2-6-15-12/h2-7,16H,1H3
InChIKeySVMWSCMMALAKIA-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.09
Rot. Bonds3

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

N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103300344) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103300344
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC NameN-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2ncccc2F)c1
InChIInChI=1S/C12H10BrFN2O2S/c1-8-4-5-9(13)11(7-8)16-19(17,18)12-10(14)3-2-6-15-12/h2-7,16H,1H3
InChIKeySVMWSCMMALAKIA-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 107625069
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300420
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103300294
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid
CID 103298700
N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103585478
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299113
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103298617
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103298579
N-(4-bromo-5-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103307734

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide (CID 103300344) is N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide is Cc1ccc(Br)c(NS(=O)(=O)c2ncccc2F)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is SVMWSCMMALAKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-8-4-5-9(13)11(7-8)16-19(17,18)12-10(14)3-2-6-15-12/h2-7,16H,1H3.
What are the key properties of N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide?
N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 345.19 g/mol, XLogP of 3.09, 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-methylphenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103300344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).