5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride

C11H9Cl3N2O3S — CID 82918646

IUPAC5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCOCc1nn(-c2ccc(Cl)cc2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C11H9Cl3N2O3S/c1-19-6-9-10(20(14,17)18)11(13)16(15-9)8-4-2-7(12)3-5-8/h2-5H,6H2,1H3
InChIKeyBWHDDDZKHOOKDO-UHFFFAOYSA-N
MW355.63 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride

5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride (PubChem CID 82918646) has the molecular formula C11H9Cl3N2O3S and a molecular weight of 355.63 g/mol. Its IUPAC name is 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
PubChem CID82918646
Molecular FormulaC11H9Cl3N2O3S
Molecular Weight355.63 g/mol
Exact Mass353.94
IUPAC Name5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCOCc1nn(-c2ccc(Cl)cc2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C11H9Cl3N2O3S/c1-19-6-9-10(20(14,17)18)11(13)16(15-9)8-4-2-7(12)3-5-8/h2-5H,6H2,1H3
InChIKeyBWHDDDZKHOOKDO-UHFFFAOYSA-N
XLogP3.25
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.63
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride 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 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride (CID 82918646) is 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride is COCc1nn(-c2ccc(Cl)cc2)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is BWHDDDZKHOOKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O3S/c1-19-6-9-10(20(14,17)18)11(13)16(15-9)8-4-2-7(12)3-5-8/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 355.63 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82918646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).