N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide

C12H7BrFN3O2S — CID 106703755

IUPACN-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H7BrFN3O2S/c13-9-4-3-8(14)6-10(9)17-20(18,19)12-2-1-5-16-11(12)7-15/h1-6,17H
InChIKeyQZYZSDDEDQOWJU-UHFFFAOYSA-N
MW356.18 g/mol
LogP2.66
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide

N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106703755) has the molecular formula C12H7BrFN3O2S and a molecular weight of 356.18 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
PubChem CID106703755
Molecular FormulaC12H7BrFN3O2S
Molecular Weight356.18 g/mol
Exact Mass354.94
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H7BrFN3O2S/c13-9-4-3-8(14)6-10(9)17-20(18,19)12-2-1-5-16-11(12)7-15/h1-6,17H
InChIKeyQZYZSDDEDQOWJU-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-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
N-(4-amino-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593185
2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
CID 106595571
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106703731
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106595530
N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593177
N-(2-bromo-5-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 107625069
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
CID 106598901
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide (CID 106703755) is N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is QZYZSDDEDQOWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O2S/c13-9-4-3-8(14)6-10(9)17-20(18,19)12-2-1-5-16-11(12)7-15/h1-6,17H.
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide?
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide 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-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106703755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).