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

C16H19N5O3S — CID 113038545

IUPACN-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)CNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nn1
InChIInChI=1S/C16H19N5O3S/c1-10(2)9-17-14-5-6-15(20-19-14)21-25(23,24)12-3-4-13-11(7-12)8-16(22)18-13/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyUCOIHYBSBXBWKT-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.84
Rot. Bonds6

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

N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 113038545) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID113038545
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCC(C)CNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nn1
InChIInChI=1S/C16H19N5O3S/c1-10(2)9-17-14-5-6-15(20-19-14)21-25(23,24)12-3-4-13-11(7-12)8-16(22)18-13/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyUCOIHYBSBXBWKT-UHFFFAOYSA-N
XLogP1.84
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 113038293
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
2-oxo-N-[6-(propylamino)-3-pyridinyl]-1,3-dihydroindole-5-sulfonamide
CID 113009145
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
4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038524
N-(4-chloro-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115687703
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 71890317

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 113038545) is N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is CC(C)CNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)nn1.
What is the InChIKey of N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is UCOIHYBSBXBWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-10(2)9-17-14-5-6-15(20-19-14)21-25(23,24)12-3-4-13-11(7-12)8-16(22)18-13/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,22)(H,20,21).
What are the key properties of N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 361.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 113038545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).