5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide

C12H11BrN4O3S — CID 112521897

IUPAC5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cnc(Br)cn2)cc1
InChIInChI=1S/C12H11BrN4O3S/c13-11-7-15-10(6-16-11)12(18)17-5-8-1-3-9(4-2-8)21(14,19)20/h1-4,6-7H,5H2,(H,17,18)(H2,14,19,20)
InChIKeyGKXBIMATMNLNSX-UHFFFAOYSA-N
MW371.22 g/mol
LogP0.82
Rot. Bonds4

About 5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide

5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 112521897) has the molecular formula C12H11BrN4O3S and a molecular weight of 371.22 g/mol. Its IUPAC name is 5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID112521897
Molecular FormulaC12H11BrN4O3S
Molecular Weight371.22 g/mol
Exact Mass369.97
IUPAC Name5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cnc(Br)cn2)cc1
InChIInChI=1S/C12H11BrN4O3S/c13-11-7-15-10(6-16-11)12(18)17-5-8-1-3-9(4-2-8)21(14,19)20/h1-4,6-7H,5H2,(H,17,18)(H2,14,19,20)
InChIKeyGKXBIMATMNLNSX-UHFFFAOYSA-N
XLogP0.82
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 66335292
5-fluoro-3-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 146074874
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
CID 10314877
2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90509881
5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 43642870

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide (CID 112521897) is 5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cnc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is GKXBIMATMNLNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3S/c13-11-7-15-10(6-16-11)12(18)17-5-8-1-3-9(4-2-8)21(14,19)20/h1-4,6-7H,5H2,(H,17,18)(H2,14,19,20).
What are the key properties of 5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide?
5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 371.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 112521897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).