N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide

C13H9BrFN3O2S — CID 79736144

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)c(C#N)c2)ncc1Br
InChIInChI=1S/C13H9BrFN3O2S/c1-8-4-13(17-7-11(8)14)18-21(19,20)10-2-3-12(15)9(5-10)6-16/h2-5,7H,1H3,(H,17,18)
InChIKeyUUMLEKONEMKMEC-UHFFFAOYSA-N
MW370.20 g/mol
LogP2.96
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide (PubChem CID 79736144) has the molecular formula C13H9BrFN3O2S and a molecular weight of 370.20 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
PubChem CID79736144
Molecular FormulaC13H9BrFN3O2S
Molecular Weight370.20 g/mol
Exact Mass368.96
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)c(C#N)c2)ncc1Br
InChIInChI=1S/C13H9BrFN3O2S/c1-8-4-13(17-7-11(8)14)18-21(19,20)10-2-3-12(15)9(5-10)6-16/h2-5,7H,1H3,(H,17,18)
InChIKeyUUMLEKONEMKMEC-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-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63289103
N-(5-bromo-4-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79736142
N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63236123
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 106070860
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890
N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-fluorobenzenesulfonamide
CID 59436522
N-(2-amino-5-methylphenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 115912283
3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 63288126
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide (CID 79736144) is N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)c(C#N)c2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide?
The InChIKey is UUMLEKONEMKMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O2S/c1-8-4-13(17-7-11(8)14)18-21(19,20)10-2-3-12(15)9(5-10)6-16/h2-5,7H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-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-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide is sourced from PubChem (CID 79736144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).