6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C15H20N6O5S2 — CID 135149752

IUPAC6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(C2CCOCC2)c1-c1nn[nH]n1
InChIInChI=1S/C15H20N6O5S2/c16-28(24,25)14-12(27(22,23)10-7-17-8-10)2-1-11(9-3-5-26-6-4-9)13(14)15-18-20-21-19-15/h1-2,9-10,17H,3-8H2,(H2,16,24,25)(H,18,19,20,21)
InChIKeyVILXEAVVUIJSAJ-UHFFFAOYSA-N
MW428.50 g/mol
LogP-0.85
Rot. Bonds5

About 6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135149752) has the molecular formula C15H20N6O5S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135149752
Molecular FormulaC15H20N6O5S2
Molecular Weight428.50 g/mol
Exact Mass428.09
IUPAC Name6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(C2CCOCC2)c1-c1nn[nH]n1
InChIInChI=1S/C15H20N6O5S2/c16-28(24,25)14-12(27(22,23)10-7-17-8-10)2-1-11(9-3-5-26-6-4-9)13(14)15-18-20-21-19-15/h1-2,9-10,17H,3-8H2,(H2,16,24,25)(H,18,19,20,21)
InChIKeyVILXEAVVUIJSAJ-UHFFFAOYSA-N
XLogP-0.85
TPSA170.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

US10227331, Example 203
CID 124157252
US10227331, Example 206
CID 135149633
US10227331, Example 108
CID 135149673
US10227331, Example 211
CID 135149774
US10227331, Example 212
CID 135149797
US10227331, Example 109
CID 135149565
US10227331, Example 218
CID 135149782
US10227331, Example 247
CID 135165670
6-(azetidin-3-ylsulfonyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 124157447
6-(2-aminoethylsulfonyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 124157672
6-(azetidin-3-ylsulfanyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 124157188
6-(azetidin-3-ylsulfonyl)-3-(1,1-dihydroxy-3,6-dihydro-2H-thiopyran-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149785

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135149752) is 6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(C2CCOCC2)c1-c1nn[nH]n1.
What is the InChIKey of 6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is VILXEAVVUIJSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O5S2/c16-28(24,25)14-12(27(22,23)10-7-17-8-10)2-1-11(9-3-5-26-6-4-9)13(14)15-18-20-21-19-15/h1-2,9-10,17H,3-8H2,(H2,16,24,25)(H,18,19,20,21).
What are the key properties of 6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 428.50 g/mol, XLogP of -0.85, 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-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135149752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).