4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one

C17H13Cl2N3O3S2 — CID 31535145

IUPAC4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C17H13Cl2N3O3S2/c18-14-9-20-22(17(23)16(14)19)12-1-3-13(4-2-12)27(24,25)21-7-5-15-11(10-21)6-8-26-15/h1-4,6,8-9H,5,7,10H2
InChIKeyFVSPNBAIVXYBNV-UHFFFAOYSA-N
MW442.35 g/mol
LogP3.35
Rot. Bonds3

About 4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one

4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one (PubChem CID 31535145) has the molecular formula C17H13Cl2N3O3S2 and a molecular weight of 442.35 g/mol. Its IUPAC name is 4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one
PubChem CID31535145
Molecular FormulaC17H13Cl2N3O3S2
Molecular Weight442.35 g/mol
Exact Mass440.98
IUPAC Name4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C17H13Cl2N3O3S2/c18-14-9-20-22(17(23)16(14)19)12-1-3-13(4-2-12)27(24,25)21-7-5-15-11(10-21)6-8-26-15/h1-4,6,8-9H,5,7,10H2
InChIKeyFVSPNBAIVXYBNV-UHFFFAOYSA-N
XLogP3.35
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1H-pyridin-2-one
CID 64607284
4,5-dichloro-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyridazin-3-one
CID 31534078
5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
4,5-dichloro-2-[4-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one
CID 31535113
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine
CID 43105459
5-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107090927
4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one
CID 31781989
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55681994
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 99629788
4-chloro-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-2-fluoroaniline
CID 61112259
N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 24662160

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one (CID 31535145) is 4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1.
What is the InChIKey of 4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one?
The InChIKey is FVSPNBAIVXYBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3S2/c18-14-9-20-22(17(23)16(14)19)12-1-3-13(4-2-12)27(24,25)21-7-5-15-11(10-21)6-8-26-15/h1-4,6,8-9H,5,7,10H2.
What are the key properties of 4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one?
4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one has a molecular weight of 442.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 31535145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).