2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide

C12H10BrFN2O2S — CID 78955831

IUPAC2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccn1
InChIInChI=1S/C12H10BrFN2O2S/c1-8-6-10(4-5-15-8)16-19(17,18)12-3-2-9(14)7-11(12)13/h2-7H,1H3,(H,15,16)
InChIKeyHTODUEIPUFCLHO-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.09
Rot. Bonds3

About 2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide

2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 78955831) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID78955831
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccn1
InChIInChI=1S/C12H10BrFN2O2S/c1-8-6-10(4-5-15-8)16-19(17,18)12-3-2-9(14)7-11(12)13/h2-7H,1H3,(H,15,16)
InChIKeyHTODUEIPUFCLHO-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

4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63650957
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 65490489
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071278
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 78955831) is 2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccn1.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is HTODUEIPUFCLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-8-6-10(4-5-15-8)16-19(17,18)12-3-2-9(14)7-11(12)13/h2-7H,1H3,(H,15,16).
What are the key properties of 2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide 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 2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 78955831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).