3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide

C13H12BrN3O3S — CID 107519556

IUPAC3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncccc2Br)ccc1S(N)(=O)=O
InChIInChI=1S/C13H12BrN3O3S/c1-8-7-9(4-5-11(8)21(15,19)20)17-13(18)12-10(14)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H2,15,19,20)
InChIKeyJILYGMOJTNRIPG-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.05
Rot. Bonds3

About 3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide

3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide (PubChem CID 107519556) has the molecular formula C13H12BrN3O3S and a molecular weight of 370.23 g/mol. Its IUPAC name is 3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
PubChem CID107519556
Molecular FormulaC13H12BrN3O3S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC Name3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncccc2Br)ccc1S(N)(=O)=O
InChIInChI=1S/C13H12BrN3O3S/c1-8-7-9(4-5-11(8)21(15,19)20)17-13(18)12-10(14)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H2,15,19,20)
InChIKeyJILYGMOJTNRIPG-UHFFFAOYSA-N
XLogP2.05
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 62339318
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43134004
N-(3-chloro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339142
3-hydroxy-N-(3-methoxy-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 167828316
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
3-bromo-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 107519561

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide (CID 107519556) is 3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ncccc2Br)ccc1S(N)(=O)=O.
What is the InChIKey of 3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide?
The InChIKey is JILYGMOJTNRIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S/c1-8-7-9(4-5-11(8)21(15,19)20)17-13(18)12-10(14)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of 3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide?
3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide has a molecular weight of 370.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).