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

C15H18N4O2S — CID 128999300

IUPACN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide
SMILESO=S(=O)(NC1CCCn2ncnc21)C1Cc2ccccc2C1
InChIInChI=1S/C15H18N4O2S/c20-22(21,13-8-11-4-1-2-5-12(11)9-13)18-14-6-3-7-19-15(14)16-10-17-19/h1-2,4-5,10,13-14,18H,3,6-9H2
InChIKeyXKJUPJDJWGERHU-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.20
Rot. Bonds3

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

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide (PubChem CID 128999300) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide
PubChem CID128999300
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide
SMILESO=S(=O)(NC1CCCn2ncnc21)C1Cc2ccccc2C1
InChIInChI=1S/C15H18N4O2S/c20-22(21,13-8-11-4-1-2-5-12(11)9-13)18-14-6-3-7-19-15(14)16-10-17-19/h1-2,4-5,10,13-14,18H,3,6-9H2
InChIKeyXKJUPJDJWGERHU-UHFFFAOYSA-N
XLogP1.20
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide (CID 128999300) is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide is O=S(=O)(NC1CCCn2ncnc21)C1Cc2ccccc2C1.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide?
The InChIKey is XKJUPJDJWGERHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-22(21,13-8-11-4-1-2-5-12(11)9-13)18-14-6-3-7-19-15(14)16-10-17-19/h1-2,4-5,10,13-14,18H,3,6-9H2.
What are the key properties of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide?
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-2-sulfonamide is sourced from PubChem (CID 128999300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).