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

C16H12N6O2S — CID 118266312

IUPAC3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc3ncccc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C16H12N6O2S/c17-25(23,24)14-5-1-4-12(15(14)16-19-21-22-20-16)10-6-7-13-11(9-10)3-2-8-18-13/h1-9H,(H2,17,23,24)(H,19,20,21,22)
InChIKeyOBHBXKKZLFJBDL-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.73
Rot. Bonds3

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

3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266312) has the molecular formula C16H12N6O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is 3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266312
Molecular FormulaC16H12N6O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC Name3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc3ncccc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C16H12N6O2S/c17-25(23,24)14-5-1-4-12(15(14)16-19-21-22-20-16)10-6-7-13-11(9-10)3-2-8-18-13/h1-9H,(H2,17,23,24)(H,19,20,21,22)
InChIKeyOBHBXKKZLFJBDL-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

Analyze 3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012
3-(1H-indazol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266110
6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline
CID 122694184
3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266097
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266109
2-(2H-tetrazol-5-yl)-3-([1,2]thiazolo[4,3-b]pyridin-3-yl)benzenesulfonamide
CID 118266686
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
6-(azetidin-1-ium-3-ylsulfonyl)-3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide;2,2,2-trifluoroacetate
CID 135149713
3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130238599

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266312) is 3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc3ncccc3c2)c1-c1nn[nH]n1.
What is the InChIKey of 3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is OBHBXKKZLFJBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S/c17-25(23,24)14-5-1-4-12(15(14)16-19-21-22-20-16)10-6-7-13-11(9-10)3-2-8-18-13/h1-9H,(H2,17,23,24)(H,19,20,21,22).
What are the key properties of 3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-quinolin-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-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).