4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one

C19H15Cl2N3O3S — CID 60534700

IUPAC4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one
SMILESCC1CN(S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c2ccccc21
InChIInChI=1S/C19H15Cl2N3O3S/c1-12-11-23(17-5-3-2-4-15(12)17)28(26,27)14-8-6-13(7-9-14)24-19(25)18(21)16(20)10-22-24/h2-10,12H,11H2,1H3
InChIKeyJBPVTKYIYBHLFI-UHFFFAOYSA-N
MW436.32 g/mol
LogP3.85
Rot. Bonds3

About 4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one

4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one (PubChem CID 60534700) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is 4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one
PubChem CID60534700
Molecular FormulaC19H15Cl2N3O3S
Molecular Weight436.32 g/mol
Exact Mass435.02
IUPAC Name4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one
SMILESCC1CN(S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c2ccccc21
InChIInChI=1S/C19H15Cl2N3O3S/c1-12-11-23(17-5-3-2-4-15(12)17)28(26,27)14-8-6-13(7-9-14)24-19(25)18(21)16(20)10-22-24/h2-10,12H,11H2,1H3
InChIKeyJBPVTKYIYBHLFI-UHFFFAOYSA-N
XLogP3.85
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one (CID 60534700) is 4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one is CC1CN(S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c2ccccc21.
What is the InChIKey of 4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one?
The InChIKey is JBPVTKYIYBHLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c1-12-11-23(17-5-3-2-4-15(12)17)28(26,27)14-8-6-13(7-9-14)24-19(25)18(21)16(20)10-22-24/h2-10,12H,11H2,1H3.
What are the key properties of 4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one?
4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one has a molecular weight of 436.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one is sourced from PubChem (CID 60534700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).