N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide

C12H9BrF2N2O2S — CID 90042168

IUPACN-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(c1cncc(Br)c1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H9BrF2N2O2S/c1-17(10-4-8(13)6-16-7-10)20(18,19)12-3-2-9(14)5-11(12)15/h2-7H,1H3
InChIKeyJWJKFMBJIRGMKH-UHFFFAOYSA-N
MW363.18 g/mol
LogP2.95
Rot. Bonds3

About N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide

N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 90042168) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID90042168
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC NameN-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(c1cncc(Br)c1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H9BrF2N2O2S/c1-17(10-4-8(13)6-16-7-10)20(18,19)12-3-2-9(14)5-11(12)15/h2-7H,1H3
InChIKeyJWJKFMBJIRGMKH-UHFFFAOYSA-N
XLogP2.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide (CID 90042168) is N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide is CN(c1cncc(Br)c1)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is JWJKFMBJIRGMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c1-17(10-4-8(13)6-16-7-10)20(18,19)12-3-2-9(14)5-11(12)15/h2-7H,1H3.
What are the key properties of N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide?
N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 363.18 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 90042168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).