4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C11H9N7O2S — CID 118265339

IUPAC4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccncc2)c1-c1nn[nH]n1
InChIInChI=1S/C11H9N7O2S/c12-21(19,20)11-9(10-15-17-18-16-10)8(3-6-14-11)7-1-4-13-5-2-7/h1-6H,(H2,12,19,20)(H,15,16,17,18)
InChIKeyXCJBGRMFQMQCJZ-UHFFFAOYSA-N
MW303.31 g/mol
LogP-0.03
Rot. Bonds3

About 4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118265339) has the molecular formula C11H9N7O2S and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118265339
Molecular FormulaC11H9N7O2S
Molecular Weight303.31 g/mol
Exact Mass303.05
IUPAC Name4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccncc2)c1-c1nn[nH]n1
InChIInChI=1S/C11H9N7O2S/c12-21(19,20)11-9(10-15-17-18-16-10)8(3-6-14-11)7-1-4-13-5-2-7/h1-6H,(H2,12,19,20)(H,15,16,17,18)
InChIKeyXCJBGRMFQMQCJZ-UHFFFAOYSA-N
XLogP-0.03
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118265339) is 4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccncc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is XCJBGRMFQMQCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O2S/c12-21(19,20)11-9(10-15-17-18-16-10)8(3-6-14-11)7-1-4-13-5-2-7/h1-6H,(H2,12,19,20)(H,15,16,17,18).
What are the key properties of 4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 303.31 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118265339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).