3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C16H12N6O2S — CID 118266542

IUPAC3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc3cnccc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C16H12N6O2S/c17-25(23,24)14-3-1-2-13(15(14)16-19-21-22-20-16)11-4-5-12-9-18-7-6-10(12)8-11/h1-9H,(H2,17,23,24)(H,19,20,21,22)
InChIKeyORMVZBOMDBGTDC-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.73
Rot. Bonds3

About 3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266542) has the molecular formula C16H12N6O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is 3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266542
Molecular FormulaC16H12N6O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC Name3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc3cnccc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C16H12N6O2S/c17-25(23,24)14-3-1-2-13(15(14)16-19-21-22-20-16)11-4-5-12-9-18-7-6-10(12)8-11/h1-9H,(H2,17,23,24)(H,19,20,21,22)
InChIKeyORMVZBOMDBGTDC-UHFFFAOYSA-N
XLogP1.73
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266542) is 3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc3cnccc3c2)c1-c1nn[nH]n1.
What is the InChIKey of 3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is ORMVZBOMDBGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S/c17-25(23,24)14-3-1-2-13(15(14)16-19-21-22-20-16)11-4-5-12-9-18-7-6-10(12)8-11/h1-9H,(H2,17,23,24)(H,19,20,21,22).
What are the key properties of 3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 352.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).