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

C18H16N8O4S2 — CID 135149518

IUPAC6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(-c2ccc3nccnc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C18H16N8O4S2/c19-32(29,30)17-15(31(27,28)11-8-20-9-11)4-2-12(16(17)18-23-25-26-24-18)10-1-3-13-14(7-10)22-6-5-21-13/h1-7,11,20H,8-9H2,(H2,19,29,30)(H,23,24,25,26)
InChIKeyXQZTUVUFDHASMV-UHFFFAOYSA-N
MW472.51 g/mol
LogP-0.13
Rot. Bonds5

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

6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135149518) has the molecular formula C18H16N8O4S2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135149518
Molecular FormulaC18H16N8O4S2
Molecular Weight472.51 g/mol
Exact Mass472.07
IUPAC Name6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(-c2ccc3nccnc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C18H16N8O4S2/c19-32(29,30)17-15(31(27,28)11-8-20-9-11)4-2-12(16(17)18-23-25-26-24-18)10-1-3-13-14(7-10)22-6-5-21-13/h1-7,11,20H,8-9H2,(H2,19,29,30)(H,23,24,25,26)
InChIKeyXQZTUVUFDHASMV-UHFFFAOYSA-N
XLogP-0.13
TPSA186.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135149518) is 6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(-c2ccc3nccnc3c2)c1-c1nn[nH]n1.
What is the InChIKey of 6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is XQZTUVUFDHASMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O4S2/c19-32(29,30)17-15(31(27,28)11-8-20-9-11)4-2-12(16(17)18-23-25-26-24-18)10-1-3-13-14(7-10)22-6-5-21-13/h1-7,11,20H,8-9H2,(H2,19,29,30)(H,23,24,25,26).
What are the key properties of 6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 472.51 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-ylsulfonyl)-3-quinoxalin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135149518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).