N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide

C13H9BrFN3O2S — CID 79041116

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(F)c2C#N)ccc1Br
InChIInChI=1S/C13H9BrFN3O2S/c1-8-10(14)5-6-13(17-8)18-21(19,20)12-4-2-3-11(15)9(12)7-16/h2-6H,1H3,(H,17,18)
InChIKeyLBTSDUMTRXUSNS-UHFFFAOYSA-N
MW370.20 g/mol
LogP2.96
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide (PubChem CID 79041116) has the molecular formula C13H9BrFN3O2S and a molecular weight of 370.20 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
PubChem CID79041116
Molecular FormulaC13H9BrFN3O2S
Molecular Weight370.20 g/mol
Exact Mass368.96
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(F)c2C#N)ccc1Br
InChIInChI=1S/C13H9BrFN3O2S/c1-8-10(14)5-6-13(17-8)18-21(19,20)12-4-2-3-11(15)9(12)7-16/h2-6H,1H3,(H,17,18)
InChIKeyLBTSDUMTRXUSNS-UHFFFAOYSA-N
XLogP2.96
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25035957
N-(5-bromo-4-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79736142
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 5237791
2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787114
N-(3-amino-4-bromophenyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79753588
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide
CID 79048558
2-cyano-3-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912639
5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79042026
N-(5-bromo-6-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-sulfonamide
CID 79048219
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 103761376
2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
CID 64973743
N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
CID 107258270

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide (CID 79041116) is N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2cccc(F)c2C#N)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide?
The InChIKey is LBTSDUMTRXUSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O2S/c1-8-10(14)5-6-13(17-8)18-21(19,20)12-4-2-3-11(15)9(12)7-16/h2-6H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide has a molecular weight of 370.20 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide is sourced from PubChem (CID 79041116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).