6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C20H19N7O4S2 — CID 135149795

IUPAC6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc2cccc(-c3ccc(S(=O)(=O)C4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1
InChIInChI=1S/C20H19N7O4S2/c1-11-5-6-12-3-2-4-15(18(12)23-11)14-7-8-16(32(28,29)13-9-22-10-13)19(33(21,30)31)17(14)20-24-26-27-25-20/h2-8,13,22H,9-10H2,1H3,(H2,21,30,31)(H,24,25,26,27)
InChIKeyGEWAUZVCOZHFPS-UHFFFAOYSA-N
MW485.55 g/mol
LogP0.78
Rot. Bonds5

About 6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135149795) has the molecular formula C20H19N7O4S2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135149795
Molecular FormulaC20H19N7O4S2
Molecular Weight485.55 g/mol
Exact Mass485.09
IUPAC Name6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc2cccc(-c3ccc(S(=O)(=O)C4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1
InChIInChI=1S/C20H19N7O4S2/c1-11-5-6-12-3-2-4-15(18(12)23-11)14-7-8-16(32(28,29)13-9-22-10-13)19(33(21,30)31)17(14)20-24-26-27-25-20/h2-8,13,22H,9-10H2,1H3,(H2,21,30,31)(H,24,25,26,27)
InChIKeyGEWAUZVCOZHFPS-UHFFFAOYSA-N
XLogP0.78
TPSA173.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135149795) is 6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1ccc2cccc(-c3ccc(S(=O)(=O)C4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1.
What is the InChIKey of 6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is GEWAUZVCOZHFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O4S2/c1-11-5-6-12-3-2-4-15(18(12)23-11)14-7-8-16(32(28,29)13-9-22-10-13)19(33(21,30)31)17(14)20-24-26-27-25-20/h2-8,13,22H,9-10H2,1H3,(H2,21,30,31)(H,24,25,26,27).
What are the key properties of 6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 485.55 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-ylsulfonyl)-3-(2-methylquinolin-8-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135149795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).