N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide

C11H8BrFN2O3S — CID 104780385

IUPACN-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c[nH]1
InChIInChI=1S/C11H8BrFN2O3S/c12-9-5-7(1-3-10(9)13)15-19(17,18)8-2-4-11(16)14-6-8/h1-6,15H,(H,14,16)
InChIKeyPZDXXJVVRRJLPK-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.08
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 104780385) has the molecular formula C11H8BrFN2O3S and a molecular weight of 347.17 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID104780385
Molecular FormulaC11H8BrFN2O3S
Molecular Weight347.17 g/mol
Exact Mass345.94
IUPAC NameN-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c[nH]1
InChIInChI=1S/C11H8BrFN2O3S/c12-9-5-7(1-3-10(9)13)15-19(17,18)8-2-4-11(16)14-6-8/h1-6,15H,(H,14,16)
InChIKeyPZDXXJVVRRJLPK-UHFFFAOYSA-N
XLogP2.08
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102854641
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629170
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
4-amino-3-bromo-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775504
N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629126
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724965
6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide
CID 107642714
3-amino-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104775518
N-(2,3-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61075597

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 104780385) is N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c[nH]1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is PZDXXJVVRRJLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O3S/c12-9-5-7(1-3-10(9)13)15-19(17,18)8-2-4-11(16)14-6-8/h1-6,15H,(H,14,16).
What are the key properties of N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 347.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 104780385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).