6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine

C17H13Cl2F3N2O2S — CID 21479613

IUPAC6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1
InChIInChI=1S/C17H13Cl2F3N2O2S/c18-14-8-3-11(10-15(14)19)16-2-1-9-24(23-16)27(25,26)13-6-4-12(5-7-13)17(20,21)22/h3-8,10H,1-2,9H2
InChIKeyZLVYYPDWFCPZIK-UHFFFAOYSA-N
MW437.27 g/mol
LogP5.20
Rot. Bonds3

About 6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine

6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine (PubChem CID 21479613) has the molecular formula C17H13Cl2F3N2O2S and a molecular weight of 437.27 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine
PubChem CID21479613
Molecular FormulaC17H13Cl2F3N2O2S
Molecular Weight437.27 g/mol
Exact Mass436.00
IUPAC Name6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1
InChIInChI=1S/C17H13Cl2F3N2O2S/c18-14-8-3-11(10-15(14)19)16-2-1-9-24(23-16)27(25,26)13-6-4-12(5-7-13)17(20,21)22/h3-8,10H,1-2,9H2
InChIKeyZLVYYPDWFCPZIK-UHFFFAOYSA-N
XLogP5.20
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.27
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine?
The IUPAC name of 6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine (CID 21479613) is 6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine?
The InChIKey is ZLVYYPDWFCPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O2S/c18-14-8-3-11(10-15(14)19)16-2-1-9-24(23-16)27(25,26)13-6-4-12(5-7-13)17(20,21)22/h3-8,10H,1-2,9H2.
What are the key properties of 6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine?
6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine has a molecular weight of 437.27 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 21479613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).