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

C18H18N4O2S — CID 53190679

IUPACN-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H18N4O2S/c23-25(24,15-9-8-12-3-1-4-14(12)11-15)21-16-5-2-10-22-18(16)19-17(20-22)13-6-7-13/h2,5,8-11,13,21H,1,3-4,6-7H2
InChIKeyQHFWYOIEHIPIHH-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.90
Rot. Bonds4

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

N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 53190679) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID53190679
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H18N4O2S/c23-25(24,15-9-8-12-3-1-4-14(12)11-15)21-16-5-2-10-22-18(16)19-17(20-22)13-6-7-13/h2,5,8-11,13,21H,1,3-4,6-7H2
InChIKeyQHFWYOIEHIPIHH-UHFFFAOYSA-N
XLogP2.90
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
CID 87054170
N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methoxybenzenesulfonamide
CID 53190674
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide
CID 53190700
N-(2,3-dihydro-1-benzofuran-7-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110870916
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 31753429
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propanamide
CID 53190518
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde
CID 83880900

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 53190679) is N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is QHFWYOIEHIPIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-25(24,15-9-8-12-3-1-4-14(12)11-15)21-16-5-2-10-22-18(16)19-17(20-22)13-6-7-13/h2,5,8-11,13,21H,1,3-4,6-7H2.
What are the key properties of N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 354.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 53190679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).