1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole

C14H8Cl4N2O2S2 — CID 2805302

IUPAC1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole
SMILESCc1cc(S(=O)(=O)n2ccc(-c3cc(Cl)sc3Cl)n2)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4N2O2S2/c1-7-4-12(10(16)6-9(7)15)24(21,22)20-3-2-11(19-20)8-5-13(17)23-14(8)18/h2-6H,1H3
InChIKeyJPAXXWIESHQCCK-UHFFFAOYSA-N
MW442.18 g/mol
LogP5.77
Rot. Bonds3

About 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole

1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole (PubChem CID 2805302) has the molecular formula C14H8Cl4N2O2S2 and a molecular weight of 442.18 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole
PubChem CID2805302
Molecular FormulaC14H8Cl4N2O2S2
Molecular Weight442.18 g/mol
Exact Mass439.88
IUPAC Name1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole
SMILESCc1cc(S(=O)(=O)n2ccc(-c3cc(Cl)sc3Cl)n2)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4N2O2S2/c1-7-4-12(10(16)6-9(7)15)24(21,22)20-3-2-11(19-20)8-5-13(17)23-14(8)18/h2-6H,1H3
InChIKeyJPAXXWIESHQCCK-UHFFFAOYSA-N
XLogP5.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.18
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole?
The IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole (CID 2805302) is 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole.
What is the SMILES notation for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole?
The canonical SMILES for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole is Cc1cc(S(=O)(=O)n2ccc(-c3cc(Cl)sc3Cl)n2)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole?
The InChIKey is JPAXXWIESHQCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4N2O2S2/c1-7-4-12(10(16)6-9(7)15)24(21,22)20-3-2-11(19-20)8-5-13(17)23-14(8)18/h2-6H,1H3.
What are the key properties of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole?
1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole has a molecular weight of 442.18 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(2,5-dichlorothiophen-3-yl)pyrazole is sourced from PubChem (CID 2805302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).