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

C13H14N4O3S — CID 2608486

IUPACN-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cnccn2)cc1
InChIInChI=1S/C13H14N4O3S/c14-21(19,20)11-3-1-10(2-4-11)5-6-17-13(18)12-9-15-7-8-16-12/h1-4,7-9H,5-6H2,(H,17,18)(H2,14,19,20)
InChIKeyJCSORBVXXHXKGQ-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.10
Rot. Bonds5

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

N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 2608486) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID2608486
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cnccn2)cc1
InChIInChI=1S/C13H14N4O3S/c14-21(19,20)11-3-1-10(2-4-11)5-6-17-13(18)12-9-15-7-8-16-12/h1-4,7-9H,5-6H2,(H,17,18)(H2,14,19,20)
InChIKeyJCSORBVXXHXKGQ-UHFFFAOYSA-N
XLogP0.10
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide (CID 2608486) is N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is JCSORBVXXHXKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-21(19,20)11-3-1-10(2-4-11)5-6-17-13(18)12-9-15-7-8-16-12/h1-4,7-9H,5-6H2,(H,17,18)(H2,14,19,20).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 2608486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).