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

C18H16N6O3S — CID 113042062

IUPAC2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)Nc3ccc(NCc4ccccn4)nn3)ccc2N1
InChIInChI=1S/C18H16N6O3S/c25-18-10-12-9-14(4-5-15(12)21-18)28(26,27)24-17-7-6-16(22-23-17)20-11-13-3-1-2-8-19-13/h1-9H,10-11H2,(H,20,22)(H,21,25)(H,23,24)
InChIKeyVLUDOCSFQBAMJF-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.78
Rot. Bonds6

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

2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 113042062) has the molecular formula C18H16N6O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
PubChem CID113042062
Molecular FormulaC18H16N6O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC Name2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)Nc3ccc(NCc4ccccn4)nn3)ccc2N1
InChIInChI=1S/C18H16N6O3S/c25-18-10-12-9-14(4-5-15(12)21-18)28(26,27)24-17-7-6-16(22-23-17)20-11-13-3-1-2-8-19-13/h1-9H,10-11H2,(H,20,22)(H,21,25)(H,23,24)
InChIKeyVLUDOCSFQBAMJF-UHFFFAOYSA-N
XLogP1.78
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-oxo-N-pyridin-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110756782
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113040738
2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 113038293
N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038545
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-(4-chloro-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115687703
N-(2-chloro-3-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 16562517
N-(5-chloropyrazin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 103580637
5-amino-6-(pyridin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43451706
2-oxo-N-[6-(propylamino)-3-pyridinyl]-1,3-dihydroindole-5-sulfonamide
CID 113009145
2-oxo-N-[4-(pyridin-4-ylmethylamino)phenyl]-1,3-dihydroindole-5-sulfonamide
CID 112983211

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide (CID 113042062) is 2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)Nc3ccc(NCc4ccccn4)nn3)ccc2N1.
What is the InChIKey of 2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is VLUDOCSFQBAMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S/c25-18-10-12-9-14(4-5-15(12)21-18)28(26,27)24-17-7-6-16(22-23-17)20-11-13-3-1-2-8-19-13/h1-9H,10-11H2,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of 2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide?
2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 396.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 113042062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).