N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide

C16H16N4O3S — CID 126821064

IUPACN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCc1ccc2nnc(CNS(=O)(=O)c3cccc4c3OCC4)n2c1
InChIInChI=1S/C16H16N4O3S/c1-11-5-6-14-18-19-15(20(14)10-11)9-17-24(21,22)13-4-2-3-12-7-8-23-16(12)13/h2-6,10,17H,7-9H2,1H3
InChIKeyWAQMUYZXRVRLSH-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.45
Rot. Bonds4

About N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide

N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 126821064) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID126821064
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCc1ccc2nnc(CNS(=O)(=O)c3cccc4c3OCC4)n2c1
InChIInChI=1S/C16H16N4O3S/c1-11-5-6-14-18-19-15(20(14)10-11)9-17-24(21,22)13-4-2-3-12-7-8-23-16(12)13/h2-6,10,17H,7-9H2,1H3
InChIKeyWAQMUYZXRVRLSH-UHFFFAOYSA-N
XLogP1.45
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 167819030
5-[(2,3-dihydro-1-benzofuran-7-ylsulfonylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 139013810
2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide
CID 166264688
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 166299331
N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 125421289
N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 138018110
N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 126838123
5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61248732
2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 86978007
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 86978022
6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139519
2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 105436826

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 126821064) is N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide is Cc1ccc2nnc(CNS(=O)(=O)c3cccc4c3OCC4)n2c1.
What is the InChIKey of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is WAQMUYZXRVRLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-11-5-6-14-18-19-15(20(14)10-11)9-17-24(21,22)13-4-2-3-12-7-8-23-16(12)13/h2-6,10,17H,7-9H2,1H3.
What are the key properties of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 126821064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).