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

C12H15N7O3S — CID 134823516

IUPAC3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCOc1ncc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cn1
InChIInChI=1S/C12H15N7O3S/c1-22-12-14-5-7(6-15-12)8-3-2-4-9(23(13,20)21)10(8)11-16-18-19-17-11/h2-6,11,16-19H,1H3,(H2,13,20,21)
InChIKeyHQCGYSSFDDCWTH-UHFFFAOYSA-N
MW337.37 g/mol
LogP-1.08
Rot. Bonds4

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

3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823516) has the molecular formula C12H15N7O3S and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823516
Molecular FormulaC12H15N7O3S
Molecular Weight337.37 g/mol
Exact Mass337.10
IUPAC Name3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESCOc1ncc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cn1
InChIInChI=1S/C12H15N7O3S/c1-22-12-14-5-7(6-15-12)8-3-2-4-9(23(13,20)21)10(8)11-16-18-19-17-11/h2-6,11,16-19H,1H3,(H2,13,20,21)
InChIKeyHQCGYSSFDDCWTH-UHFFFAOYSA-N
XLogP-1.08
TPSA143.29 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 5-1.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823516) is 3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is COc1ncc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cn1.
What is the InChIKey of 3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is HQCGYSSFDDCWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O3S/c1-22-12-14-5-7(6-15-12)8-3-2-4-9(23(13,20)21)10(8)11-16-18-19-17-11/h2-6,11,16-19H,1H3,(H2,13,20,21).
What are the key properties of 3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 337.37 g/mol, XLogP of -1.08, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).