N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide

C11H7BrF2N2O3S — CID 102854641

IUPACN-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c[nH]1
InChIInChI=1S/C11H7BrF2N2O3S/c12-7-3-10(9(14)4-8(7)13)16-20(18,19)6-1-2-11(17)15-5-6/h1-5,16H,(H,15,17)
InChIKeyWQJQHMHUNIXQOE-UHFFFAOYSA-N
MW365.16 g/mol
LogP2.22
Rot. Bonds3

About N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 102854641) has the molecular formula C11H7BrF2N2O3S and a molecular weight of 365.16 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID102854641
Molecular FormulaC11H7BrF2N2O3S
Molecular Weight365.16 g/mol
Exact Mass363.93
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c[nH]1
InChIInChI=1S/C11H7BrF2N2O3S/c12-7-3-10(9(14)4-8(7)13)16-20(18,19)6-1-2-11(17)15-5-6/h1-5,16H,(H,15,17)
InChIKeyWQJQHMHUNIXQOE-UHFFFAOYSA-N
XLogP2.22
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.16
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 104780385
N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629170
6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide
CID 107642714
N-(2,3-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61075597
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629227
5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
CID 166153357
N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274022
N-(4-bromo-2,5-difluorophenyl)-5-cyclobutyl-1H-pyrrole-3-sulfonamide
CID 166153216
N-(4-methoxy-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 62873560
1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene
CID 102855195
3-amino-4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 115329248
N-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629246

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 102854641) is N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c[nH]1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is WQJQHMHUNIXQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O3S/c12-7-3-10(9(14)4-8(7)13)16-20(18,19)6-1-2-11(17)15-5-6/h1-5,16H,(H,15,17).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 365.16 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 102854641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).