N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide

C13H14N4O3S — CID 4969032

IUPACN-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnccn1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H14N4O3S/c1-9(17-13(18)12-8-15-6-7-16-12)10-2-4-11(5-3-10)21(14,19)20/h2-9H,1H3,(H,17,18)(H2,14,19,20)
InChIKeyDQHYEBMDCUTQAQ-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.62
Rot. Bonds4

About N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide

N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 4969032) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID4969032
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnccn1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H14N4O3S/c1-9(17-13(18)12-8-15-6-7-16-12)10-2-4-11(5-3-10)21(14,19)20/h2-9H,1H3,(H,17,18)(H2,14,19,20)
InChIKeyDQHYEBMDCUTQAQ-UHFFFAOYSA-N
XLogP0.62
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3478
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3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide
CID 2608486
N-(4-methylbenzyl)-2-pyrazinecarboxamide
CID 897112
N-benzylpyrazine-2-carboxamide
CID 470909
4-[(5,7-Dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide
CID 71602538
2-[Methyl-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 925262
N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
CID 2466285
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide (CID 4969032) is N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide is CC(NC(=O)c1cnccn1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is DQHYEBMDCUTQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-9(17-13(18)12-8-15-6-7-16-12)10-2-4-11(5-3-10)21(14,19)20/h2-9H,1H3,(H,17,18)(H2,14,19,20).
What are the key properties of N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide?
N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4969032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).