3-(benzenesulfonyl)pyrazine-2-carboxamide

C11H9N3O3S — CID 12556850

IUPAC3-(benzenesulfonyl)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9N3O3S/c12-10(15)9-11(14-7-6-13-9)18(16,17)8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKeyBXEJFVCFJUSIRC-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.41
Rot. Bonds3

About 3-(benzenesulfonyl)pyrazine-2-carboxamide

3-(benzenesulfonyl)pyrazine-2-carboxamide (PubChem CID 12556850) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-(benzenesulfonyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)pyrazine-2-carboxamide
PubChem CID12556850
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name3-(benzenesulfonyl)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9N3O3S/c12-10(15)9-11(14-7-6-13-9)18(16,17)8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKeyBXEJFVCFJUSIRC-UHFFFAOYSA-N
XLogP0.41
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-bis(benzenesulfonyl)pyridine
CID 140663815
benzenesulfonylbenzene;oxalic acid
CID 67897674
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027
2,3-bis(benzenesulfonyl)quinoxaline
CID 6612515
benzene-1,4-dicarboxamide;benzenesulfonyl chloride
CID 175228763
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 175401274
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide
CID 68879948
benzenesulfonylbenzene;ethane;methanol
CID 123145310
2-amino-3-(benzenesulfonyl)benzamide
CID 66736112
1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
CID 123572189
isoquinoline-1-carboxamide;hydrochloride
CID 57458906

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)pyrazine-2-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)pyrazine-2-carboxamide (CID 12556850) is 3-(benzenesulfonyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)pyrazine-2-carboxamide is NC(=O)c1nccnc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)pyrazine-2-carboxamide?
The InChIKey is BXEJFVCFJUSIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c12-10(15)9-11(14-7-6-13-9)18(16,17)8-4-2-1-3-5-8/h1-7H,(H2,12,15).
What are the key properties of 3-(benzenesulfonyl)pyrazine-2-carboxamide?
3-(benzenesulfonyl)pyrazine-2-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)pyrazine-2-carboxamide is sourced from PubChem (CID 12556850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).