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

C17H15N5O4S — CID 113040738

IUPACN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)Nc3ccc(NCc4ccco4)nn3)ccc2N1
InChIInChI=1S/C17H15N5O4S/c23-17-9-11-8-13(3-4-14(11)19-17)27(24,25)22-16-6-5-15(20-21-16)18-10-12-2-1-7-26-12/h1-8H,9-10H2,(H,18,20)(H,19,23)(H,21,22)
InChIKeyXOQFVSPOFDQXDJ-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.98
Rot. Bonds6

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

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 113040738) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID113040738
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)Nc3ccc(NCc4ccco4)nn3)ccc2N1
InChIInChI=1S/C17H15N5O4S/c23-17-9-11-8-13(3-4-14(11)19-17)27(24,25)22-16-6-5-15(20-21-16)18-10-12-2-1-7-26-12/h1-8H,9-10H2,(H,18,20)(H,19,23)(H,21,22)
InChIKeyXOQFVSPOFDQXDJ-UHFFFAOYSA-N
XLogP1.98
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-oxo-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 113042062
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-(furan-2-ylmethylamino)pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113040718
N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113045419
N-[4-[[6-(furan-2-ylmethylamino)pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113040735
2-oxo-N-pyridin-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110756782
N-(4-chloro-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115687703
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113040746
N-(5-chloropyrazin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 103580637
4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113026312

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 113040738) is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)Nc3ccc(NCc4ccco4)nn3)ccc2N1.
What is the InChIKey of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is XOQFVSPOFDQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S/c23-17-9-11-8-13(3-4-14(11)19-17)27(24,25)22-16-6-5-15(20-21-16)18-10-12-2-1-7-26-12/h1-8H,9-10H2,(H,18,20)(H,19,23)(H,21,22).
What are the key properties of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 385.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 113040738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).