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

C18H13Cl2N3O3S — CID 31534088

IUPAC4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H13Cl2N3O3S/c19-15-11-21-23(18(24)17(15)20)13-5-7-14(8-6-13)27(25,26)22-10-9-12-3-1-2-4-16(12)22/h1-8,11H,9-10H2
InChIKeyMNKBEMSAGWLVBH-UHFFFAOYSA-N
MW422.29 g/mol
LogP3.29
Rot. Bonds3

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

4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one (PubChem CID 31534088) has the molecular formula C18H13Cl2N3O3S and a molecular weight of 422.29 g/mol. Its IUPAC name is 4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one
PubChem CID31534088
Molecular FormulaC18H13Cl2N3O3S
Molecular Weight422.29 g/mol
Exact Mass421.01
IUPAC Name4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H13Cl2N3O3S/c19-15-11-21-23(18(24)17(15)20)13-5-7-14(8-6-13)27(25,26)22-10-9-12-3-1-2-4-16(12)22/h1-8,11H,9-10H2
InChIKeyMNKBEMSAGWLVBH-UHFFFAOYSA-N
XLogP3.29
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 53.29
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-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one (CID 31534088) is 4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one?
The InChIKey is MNKBEMSAGWLVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3S/c19-15-11-21-23(18(24)17(15)20)13-5-7-14(8-6-13)27(25,26)22-10-9-12-3-1-2-4-16(12)22/h1-8,11H,9-10H2.
What are the key properties of 4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one?
4,5-dichloro-2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one has a molecular weight of 422.29 g/mol, XLogP of 3.29, 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-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 31534088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).