3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide

C12H15N7O2S — CID 134823580

IUPAC3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCc1cnc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cn1
InChIInChI=1S/C12H15N7O2S/c1-7-5-15-9(6-14-7)8-3-2-4-10(22(13,20)21)11(8)12-16-18-19-17-12/h2-6,12,16-19H,1H3,(H2,13,20,21)
InChIKeyKGVXDGFNEUUMAB-UHFFFAOYSA-N
MW321.37 g/mol
LogP-0.78
Rot. Bonds3

About 3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide

3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823580) has the molecular formula C12H15N7O2S and a molecular weight of 321.37 g/mol. Its IUPAC name is 3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823580
Molecular FormulaC12H15N7O2S
Molecular Weight321.37 g/mol
Exact Mass321.10
IUPAC Name3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCc1cnc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cn1
InChIInChI=1S/C12H15N7O2S/c1-7-5-15-9(6-14-7)8-3-2-4-10(22(13,20)21)11(8)12-16-18-19-17-12/h2-6,12,16-19H,1H3,(H2,13,20,21)
InChIKeyKGVXDGFNEUUMAB-UHFFFAOYSA-N
XLogP-0.78
TPSA134.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 5-0.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823580) is 3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is Cc1cnc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cn1.
What is the InChIKey of 3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is KGVXDGFNEUUMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O2S/c1-7-5-15-9(6-14-7)8-3-2-4-10(22(13,20)21)11(8)12-16-18-19-17-12/h2-6,12,16-19H,1H3,(H2,13,20,21).
What are the key properties of 3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 321.37 g/mol, XLogP of -0.78, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazin-2-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).