6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C15H15N7O5S2 — CID 135149565

IUPAC6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(-c2ccc(=O)[nH]c2)c1-c1nn[nH]n1
InChIInChI=1S/C15H15N7O5S2/c16-29(26,27)14-11(28(24,25)9-6-17-7-9)3-2-10(8-1-4-12(23)18-5-8)13(14)15-19-21-22-20-15/h1-5,9,17H,6-7H2,(H,18,23)(H2,16,26,27)(H,19,20,21,22)
InChIKeyCCKYDJAMNOBVOW-UHFFFAOYSA-N
MW437.46 g/mol
LogP-1.39
Rot. Bonds5

About 6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135149565) has the molecular formula C15H15N7O5S2 and a molecular weight of 437.46 g/mol. Its IUPAC name is 6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135149565
Molecular FormulaC15H15N7O5S2
Molecular Weight437.46 g/mol
Exact Mass437.06
IUPAC Name6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(-c2ccc(=O)[nH]c2)c1-c1nn[nH]n1
InChIInChI=1S/C15H15N7O5S2/c16-29(26,27)14-11(28(24,25)9-6-17-7-9)3-2-10(8-1-4-12(23)18-5-8)13(14)15-19-21-22-20-15/h1-5,9,17H,6-7H2,(H,18,23)(H2,16,26,27)(H,19,20,21,22)
InChIKeyCCKYDJAMNOBVOW-UHFFFAOYSA-N
XLogP-1.39
TPSA193.65 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135149565) is 6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(-c2ccc(=O)[nH]c2)c1-c1nn[nH]n1.
What is the InChIKey of 6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is CCKYDJAMNOBVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O5S2/c16-29(26,27)14-11(28(24,25)9-6-17-7-9)3-2-10(8-1-4-12(23)18-5-8)13(14)15-19-21-22-20-15/h1-5,9,17H,6-7H2,(H,18,23)(H2,16,26,27)(H,19,20,21,22).
What are the key properties of 6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 437.46 g/mol, XLogP of -1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-ylsulfonyl)-3-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135149565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).