6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C20H19N7O3S2 — CID 145214552

IUPAC6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCN1CC(S(=O)c2ccc(-c3cnc4ccccc4c3)c(-c3nn[nH]n3)c2S(N)(=O)=O)C1
InChIInChI=1S/C20H19N7O3S2/c1-27-10-14(11-27)31(28)17-7-6-15(13-8-12-4-2-3-5-16(12)22-9-13)18(19(17)32(21,29)30)20-23-25-26-24-20/h2-9,14H,10-11H2,1H3,(H2,21,29,30)(H,23,24,25,26)
InChIKeyVWOSCSDRDKGDCT-UHFFFAOYSA-N
MW469.55 g/mol
LogP1.15
Rot. Bonds5

About 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 145214552) has the molecular formula C20H19N7O3S2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID145214552
Molecular FormulaC20H19N7O3S2
Molecular Weight469.55 g/mol
Exact Mass469.10
IUPAC Name6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCN1CC(S(=O)c2ccc(-c3cnc4ccccc4c3)c(-c3nn[nH]n3)c2S(N)(=O)=O)C1
InChIInChI=1S/C20H19N7O3S2/c1-27-10-14(11-27)31(28)17-7-6-15(13-8-12-4-2-3-5-16(12)22-9-13)18(19(17)32(21,29)30)20-23-25-26-24-20/h2-9,14H,10-11H2,1H3,(H2,21,29,30)(H,23,24,25,26)
InChIKeyVWOSCSDRDKGDCT-UHFFFAOYSA-N
XLogP1.15
TPSA147.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-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

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 145214552) is 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is CN1CC(S(=O)c2ccc(-c3cnc4ccccc4c3)c(-c3nn[nH]n3)c2S(N)(=O)=O)C1.
What is the InChIKey of 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is VWOSCSDRDKGDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3S2/c1-27-10-14(11-27)31(28)17-7-6-15(13-8-12-4-2-3-5-16(12)22-9-13)18(19(17)32(21,29)30)20-23-25-26-24-20/h2-9,14H,10-11H2,1H3,(H2,21,29,30)(H,23,24,25,26).
What are the key properties of 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 469.55 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 145214552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).