2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide

C15H15N5O3S — CID 113038293

IUPAC2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nn1
InChIInChI=1S/C15H15N5O3S/c1-2-7-16-13-5-6-14(19-18-13)20-24(22,23)11-3-4-12-10(8-11)9-15(21)17-12/h2-6,8H,1,7,9H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyILIUAVBQJJQCAB-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.37
Rot. Bonds6

About 2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide

2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 113038293) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
PubChem CID113038293
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nn1
InChIInChI=1S/C15H15N5O3S/c1-2-7-16-13-5-6-14(19-18-13)20-24(22,23)11-3-4-12-10(8-11)9-15(21)17-12/h2-6,8H,1,7,9H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyILIUAVBQJJQCAB-UHFFFAOYSA-N
XLogP1.37
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038545
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113040738
2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 113042062
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038925
N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113045419
N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113038278
2-oxo-N-pyridin-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110756782
N-(5-chloropyrazin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 103580637
N-(4-chloro-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115687703
2-oxo-N-[6-(propylamino)-3-pyridinyl]-1,3-dihydroindole-5-sulfonamide
CID 113009145
1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 113038294
1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113038296

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide (CID 113038293) is 2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide is C=CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nn1.
What is the InChIKey of 2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is ILIUAVBQJJQCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-2-7-16-13-5-6-14(19-18-13)20-24(22,23)11-3-4-12-10(8-11)9-15(21)17-12/h2-6,8H,1,7,9H2,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide?
2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 113038293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).