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

C12H12N4O3S — CID 2466285

IUPACN-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cnccn2)cc1
InChIInChI=1S/C12H12N4O3S/c13-20(18,19)10-3-1-9(2-4-10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17)(H2,13,18,19)
InChIKeyLDBAUABQEZCKHO-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.05
Rot. Bonds4

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

N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 2466285) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID2466285
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC NameN-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cnccn2)cc1
InChIInChI=1S/C12H12N4O3S/c13-20(18,19)10-3-1-9(2-4-10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17)(H2,13,18,19)
InChIKeyLDBAUABQEZCKHO-UHFFFAOYSA-N
XLogP0.05
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide (CID 2466285) is N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is LDBAUABQEZCKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c13-20(18,19)10-3-1-9(2-4-10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17)(H2,13,18,19).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide?
N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 2466285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).