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

C12H7BrFN3O2S — CID 63289103

IUPACN-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(Br)cn2)ccc1F
InChIInChI=1S/C12H7BrFN3O2S/c13-9-1-4-12(16-7-9)17-20(18,19)10-2-3-11(14)8(5-10)6-15/h1-5,7H,(H,16,17)
InChIKeyFXEJPORVGHYRCY-UHFFFAOYSA-N
MW356.18 g/mol
LogP2.66
Rot. Bonds3

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

N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide (PubChem CID 63289103) has the molecular formula C12H7BrFN3O2S and a molecular weight of 356.18 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
PubChem CID63289103
Molecular FormulaC12H7BrFN3O2S
Molecular Weight356.18 g/mol
Exact Mass354.94
IUPAC NameN-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(Br)cn2)ccc1F
InChIInChI=1S/C12H7BrFN3O2S/c13-9-1-4-12(16-7-9)17-20(18,19)10-2-3-11(14)8(5-10)6-15/h1-5,7H,(H,16,17)
InChIKeyFXEJPORVGHYRCY-UHFFFAOYSA-N
XLogP2.66
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
CID 79736144
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 55057972
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63236123
N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-fluorobenzenesulfonamide
CID 59436522
3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2,4,5-trifluorophenoxy)benzenesulfonamide
CID 118009963
3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009901
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 63288126
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
3-cyano-4-(2-fluoro-5-methoxyphenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009989

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide (CID 63289103) is N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccc(Br)cn2)ccc1F.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide?
The InChIKey is FXEJPORVGHYRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O2S/c13-9-1-4-12(16-7-9)17-20(18,19)10-2-3-11(14)8(5-10)6-15/h1-5,7H,(H,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide?
N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide has a molecular weight of 356.18 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63289103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).