3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C14H10N6O2S — CID 118266088

IUPAC3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C#Cc2cccnc2)c1-c1nn[nH]n1
InChIInChI=1S/C14H10N6O2S/c15-23(21,22)12-5-1-4-11(13(12)14-17-19-20-18-14)7-6-10-3-2-8-16-9-10/h1-5,8-9H,(H2,15,21,22)(H,17,18,19,20)
InChIKeyGLDLQXBVVPHLOV-UHFFFAOYSA-N
MW326.34 g/mol
LogP0.31
Rot. Bonds2

About 3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266088) has the molecular formula C14H10N6O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266088
Molecular FormulaC14H10N6O2S
Molecular Weight326.34 g/mol
Exact Mass326.06
IUPAC Name3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C#Cc2cccnc2)c1-c1nn[nH]n1
InChIInChI=1S/C14H10N6O2S/c15-23(21,22)12-5-1-4-11(13(12)14-17-19-20-18-14)7-6-10-3-2-8-16-9-10/h1-5,8-9H,(H2,15,21,22)(H,17,18,19,20)
InChIKeyGLDLQXBVVPHLOV-UHFFFAOYSA-N
XLogP0.31
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266088) is 3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(C#Cc2cccnc2)c1-c1nn[nH]n1.
What is the InChIKey of 3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is GLDLQXBVVPHLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2S/c15-23(21,22)12-5-1-4-11(13(12)14-17-19-20-18-14)7-6-10-3-2-8-16-9-10/h1-5,8-9H,(H2,15,21,22)(H,17,18,19,20).
What are the key properties of 3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 326.34 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylethynyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).