4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole

C11H9Cl2FN2O2S — CID 18791046

IUPAC4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole
SMILESCc1c(Cl)c(-c2ccc(Cl)cc2F)nn1S(C)(=O)=O
InChIInChI=1S/C11H9Cl2FN2O2S/c1-6-10(13)11(15-16(6)19(2,17)18)8-4-3-7(12)5-9(8)14/h3-5H,1-2H3
InChIKeyFCZWDVSNKJHOET-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.11
Rot. Bonds2

About 4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole

4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole (PubChem CID 18791046) has the molecular formula C11H9Cl2FN2O2S and a molecular weight of 323.18 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole
PubChem CID18791046
Molecular FormulaC11H9Cl2FN2O2S
Molecular Weight323.18 g/mol
Exact Mass321.97
IUPAC Name4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole
SMILESCc1c(Cl)c(-c2ccc(Cl)cc2F)nn1S(C)(=O)=O
InChIInChI=1S/C11H9Cl2FN2O2S/c1-6-10(13)11(15-16(6)19(2,17)18)8-4-3-7(12)5-9(8)14/h3-5H,1-2H3
InChIKeyFCZWDVSNKJHOET-UHFFFAOYSA-N
XLogP3.11
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole (CID 18791046) is 4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole is Cc1c(Cl)c(-c2ccc(Cl)cc2F)nn1S(C)(=O)=O.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole?
The InChIKey is FCZWDVSNKJHOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2O2S/c1-6-10(13)11(15-16(6)19(2,17)18)8-4-3-7(12)5-9(8)14/h3-5H,1-2H3.
What are the key properties of 4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole?
4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole has a molecular weight of 323.18 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-2-fluorophenyl)-5-methyl-1-methylsulfonylpyrazole is sourced from PubChem (CID 18791046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).