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

C19H15Cl2N3O3S — CID 24662065

IUPAC4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C19H15Cl2N3O3S/c1-12-10-13-4-2-3-5-17(13)24(12)28(26,27)15-8-6-14(7-9-15)23-19(25)18(21)16(20)11-22-23/h2-9,11-12H,10H2,1H3
InChIKeyQFOJLVRGNDVWII-UHFFFAOYSA-N
MW436.32 g/mol
LogP3.68
Rot. Bonds3

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

4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one (PubChem CID 24662065) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is 4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one
PubChem CID24662065
Molecular FormulaC19H15Cl2N3O3S
Molecular Weight436.32 g/mol
Exact Mass435.02
IUPAC Name4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C19H15Cl2N3O3S/c1-12-10-13-4-2-3-5-17(13)24(12)28(26,27)15-8-6-14(7-9-15)23-19(25)18(21)16(20)11-22-23/h2-9,11-12H,10H2,1H3
InChIKeyQFOJLVRGNDVWII-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one (CID 24662065) is 4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one?
The InChIKey is QFOJLVRGNDVWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c1-12-10-13-4-2-3-5-17(13)24(12)28(26,27)15-8-6-14(7-9-15)23-19(25)18(21)16(20)11-22-23/h2-9,11-12H,10H2,1H3.
What are the key properties of 4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one?
4,5-dichloro-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one has a molecular weight of 436.32 g/mol, XLogP of 3.68, 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-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one is sourced from PubChem (CID 24662065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).