5-(benzenesulfinyl)pyrazine-2-carboxamide

C11H9N3O2S — CID 154324906

IUPAC5-(benzenesulfinyl)pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(S(=O)c2ccccc2)cn1
InChIInChI=1S/C11H9N3O2S/c12-11(15)9-6-14-10(7-13-9)17(16)8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKeyLOZSSTYPMVLMOB-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.74
Rot. Bonds3

About 5-(benzenesulfinyl)pyrazine-2-carboxamide

5-(benzenesulfinyl)pyrazine-2-carboxamide (PubChem CID 154324906) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-(benzenesulfinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfinyl)pyrazine-2-carboxamide
PubChem CID154324906
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name5-(benzenesulfinyl)pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(S(=O)c2ccccc2)cn1
InChIInChI=1S/C11H9N3O2S/c12-11(15)9-6-14-10(7-13-9)17(16)8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKeyLOZSSTYPMVLMOB-UHFFFAOYSA-N
XLogP0.74
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzenesulfinylbenzene;1,1-diaminourea
CID 174862633
5-(dibenzylamino)pyrazine-2-carboxamide
CID 69290218
benzoic acid;pyridine-2-carboxamide
CID 67821051
[5-(benzenesulfinyl)-2-pyridinyl]-piperazin-1-ylmethanone
CID 71695163
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
5-(1-hydroxyethenyl)pyrazine-2-carboxylic acid
CID 121315252
benzoic acid;pyrimidine-4-carboxamide
CID 174949341
5-sulfinopyridine-2-carboxylic acid
CID 57018045
pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)
CID 122691217
2-(benzenesulfinyl)-6-bromopyridine
CID 86679095
5-ethylpyrazine-2-carboxamide;molecular hydrogen
CID 176985944
6-methylsulfinylpyridine-3-carboxamide
CID 119092995

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfinyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(benzenesulfinyl)pyrazine-2-carboxamide (CID 154324906) is 5-(benzenesulfinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfinyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(benzenesulfinyl)pyrazine-2-carboxamide is NC(=O)c1cnc(S(=O)c2ccccc2)cn1.
What is the InChIKey of 5-(benzenesulfinyl)pyrazine-2-carboxamide?
The InChIKey is LOZSSTYPMVLMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c12-11(15)9-6-14-10(7-13-9)17(16)8-4-2-1-3-5-8/h1-7H,(H2,12,15).
What are the key properties of 5-(benzenesulfinyl)pyrazine-2-carboxamide?
5-(benzenesulfinyl)pyrazine-2-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 154324906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).