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

C15H16N8O4S2 — CID 135149735

IUPAC3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1cnccc1-c1ccc(S(=O)(=O)C2CNC2)c(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C15H16N8O4S2/c16-11-7-18-4-3-9(11)10-1-2-12(28(24,25)8-5-19-6-8)14(29(17,26)27)13(10)15-20-22-23-21-15/h1-4,7-8,19H,5-6,16H2,(H2,17,26,27)(H,20,21,22,23)
InChIKeyMINAZEFHVKNMIT-UHFFFAOYSA-N
MW436.48 g/mol
LogP-1.10
Rot. Bonds5

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

3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 135149735) has the molecular formula C15H16N8O4S2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID135149735
Molecular FormulaC15H16N8O4S2
Molecular Weight436.48 g/mol
Exact Mass436.07
IUPAC Name3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1cnccc1-c1ccc(S(=O)(=O)C2CNC2)c(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C15H16N8O4S2/c16-11-7-18-4-3-9(11)10-1-2-12(28(24,25)8-5-19-6-8)14(29(17,26)27)13(10)15-20-22-23-21-15/h1-4,7-8,19H,5-6,16H2,(H2,17,26,27)(H,20,21,22,23)
InChIKeyMINAZEFHVKNMIT-UHFFFAOYSA-N
XLogP-1.10
TPSA199.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 135149735) is 3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Nc1cnccc1-c1ccc(S(=O)(=O)C2CNC2)c(S(N)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is MINAZEFHVKNMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O4S2/c16-11-7-18-4-3-9(11)10-1-2-12(28(24,25)8-5-19-6-8)14(29(17,26)27)13(10)15-20-22-23-21-15/h1-4,7-8,19H,5-6,16H2,(H2,17,26,27)(H,20,21,22,23).
What are the key properties of 3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 436.48 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-pyridinyl)-6-(azetidin-3-ylsulfonyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 135149735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).