3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide

C17H20N4O4S — CID 129000256

IUPAC3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide
SMILESCC(C)c1nc2n(n1)CCCC2NS(=O)(=O)c1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C17H20N4O4S/c1-10(2)15-18-16-14(4-3-7-21(16)19-15)20-26(23,24)12-6-5-11-9-25-17(22)13(11)8-12/h5-6,8,10,14,20H,3-4,7,9H2,1-2H3
InChIKeyDEGXHDIKZJLBBA-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.89
Rot. Bonds4

About 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide

3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide (PubChem CID 129000256) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide
PubChem CID129000256
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide
SMILESCC(C)c1nc2n(n1)CCCC2NS(=O)(=O)c1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C17H20N4O4S/c1-10(2)15-18-16-14(4-3-7-21(16)19-15)20-26(23,24)12-6-5-11-9-25-17(22)13(11)8-12/h5-6,8,10,14,20H,3-4,7,9H2,1-2H3
InChIKeyDEGXHDIKZJLBBA-UHFFFAOYSA-N
XLogP1.89
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide?
The IUPAC name of 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide (CID 129000256) is 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide.
What is the SMILES notation for 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide?
The canonical SMILES for 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide is CC(C)c1nc2n(n1)CCCC2NS(=O)(=O)c1ccc2c(c1)C(=O)OC2.
What is the InChIKey of 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide?
The InChIKey is DEGXHDIKZJLBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-10(2)15-18-16-14(4-3-7-21(16)19-15)20-26(23,24)12-6-5-11-9-25-17(22)13(11)8-12/h5-6,8,10,14,20H,3-4,7,9H2,1-2H3.
What are the key properties of 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide?
3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide has a molecular weight of 376.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide is sourced from PubChem (CID 129000256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).