N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide

C12H9BrFN3O3S — CID 104786050

IUPACN-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cncc(F)c2)c(Br)c1
InChIInChI=1S/C12H9BrFN3O3S/c13-10-4-9(21(15,19)20)1-2-11(10)17-12(18)7-3-8(14)6-16-5-7/h1-6H,(H,17,18)(H2,15,19,20)
InChIKeyNYOBASVGGZHLJX-UHFFFAOYSA-N
MW374.19 g/mol
LogP1.88
Rot. Bonds3

About N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide

N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide (PubChem CID 104786050) has the molecular formula C12H9BrFN3O3S and a molecular weight of 374.19 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide
PubChem CID104786050
Molecular FormulaC12H9BrFN3O3S
Molecular Weight374.19 g/mol
Exact Mass372.95
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cncc(F)c2)c(Br)c1
InChIInChI=1S/C12H9BrFN3O3S/c13-10-4-9(21(15,19)20)1-2-11(10)17-12(18)7-3-8(14)6-16-5-7/h1-6H,(H,17,18)(H2,15,19,20)
InChIKeyNYOBASVGGZHLJX-UHFFFAOYSA-N
XLogP1.88
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 104786047
4-bromo-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43246759
5-fluoro-N-(2-sulfamoylphenyl)pyridine-3-carboxamide
CID 104786397
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43711286
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 104785746
N-(2-bromo-4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 55257449
2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride
CID 104785745
N-(4-bromo-2-carbamothioylphenyl)-5-fluoropyridine-3-carboxamide
CID 104785905
N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511171
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 115867825
5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 115694821

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide (CID 104786050) is N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cncc(F)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is NYOBASVGGZHLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O3S/c13-10-4-9(21(15,19)20)1-2-11(10)17-12(18)7-3-8(14)6-16-5-7/h1-6H,(H,17,18)(H2,15,19,20).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide?
N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 374.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).