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

C12H14N6O2S — CID 134823518

IUPAC3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccccn2)c1C1NNNN1
InChIInChI=1S/C12H14N6O2S/c13-21(19,20)10-6-3-4-8(9-5-1-2-7-14-9)11(10)12-15-17-18-16-12/h1-7,12,15-18H,(H2,13,19,20)
InChIKeyYPGJXERBLDQXOQ-UHFFFAOYSA-N
MW306.35 g/mol
LogP-0.49
Rot. Bonds3

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

3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823518) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823518
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccccn2)c1C1NNNN1
InChIInChI=1S/C12H14N6O2S/c13-21(19,20)10-6-3-4-8(9-5-1-2-7-14-9)11(10)12-15-17-18-16-12/h1-7,12,15-18H,(H2,13,19,20)
InChIKeyYPGJXERBLDQXOQ-UHFFFAOYSA-N
XLogP-0.49
TPSA121.17 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823518) is 3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccccn2)c1C1NNNN1.
What is the InChIKey of 3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is YPGJXERBLDQXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S/c13-21(19,20)10-6-3-4-8(9-5-1-2-7-14-9)11(10)12-15-17-18-16-12/h1-7,12,15-18H,(H2,13,19,20).
What are the key properties of 3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 306.35 g/mol, XLogP of -0.49, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).