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

C14H14N6O2S — CID 118266674

IUPAC3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CCc2ccccn2)c1-c1nn[nH]n1
InChIInChI=1S/C14H14N6O2S/c15-23(21,22)12-6-3-4-10(13(12)14-17-19-20-18-14)7-8-11-5-1-2-9-16-11/h1-6,9H,7-8H2,(H2,15,21,22)(H,17,18,19,20)
InChIKeyGUWZWOVRHUORNG-UHFFFAOYSA-N
MW330.37 g/mol
LogP0.69
Rot. Bonds5

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

3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266674) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266674
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CCc2ccccn2)c1-c1nn[nH]n1
InChIInChI=1S/C14H14N6O2S/c15-23(21,22)12-6-3-4-10(13(12)14-17-19-20-18-14)7-8-11-5-1-2-9-16-11/h1-6,9H,7-8H2,(H2,15,21,22)(H,17,18,19,20)
InChIKeyGUWZWOVRHUORNG-UHFFFAOYSA-N
XLogP0.69
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-(pyridin-2-ylmethyl)-N-[4-(2H-tetrazol-5-yl)benzyl]benzenesulfonamide
CID 46891424
2-phenyl-6-[2-(2H-tetrazol-5-yl)piperidin-1-yl]sulfonylpyridine
CID 58210962
3-pyridin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266627
3-(Quinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256898
3-quinolin-4-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118265930
3-(6-amino-4-methyl-3-pyridyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl) benzenesulfonamide
CID 118266353
3-(6-amino-5-fluoro-3-pyridyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266597
3-(6-amino-3-pyridyl)-6-(4-piperidylmethyl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266264
3-(6-amino-5-fluoropyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266107
3-(5-aminopyridin-2-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266258
3-(2-fluoropyridin-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823488
3-(6-fluoropyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823490

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266674) is 3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(CCc2ccccn2)c1-c1nn[nH]n1.
What is the InChIKey of 3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is GUWZWOVRHUORNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c15-23(21,22)12-6-3-4-10(13(12)14-17-19-20-18-14)7-8-11-5-1-2-9-16-11/h1-6,9H,7-8H2,(H2,15,21,22)(H,17,18,19,20).
What are the key properties of 3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).