5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride

C12H11Cl2FN2O2S — CID 82918805

IUPAC5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride
SMILESCCc1nn(-c2ccc(F)cc2C)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C12H11Cl2FN2O2S/c1-3-9-11(20(14,18)19)12(13)17(16-9)10-5-4-8(15)6-7(10)2/h4-6H,3H2,1-2H3
InChIKeyMZEDQXUBUSQLDZ-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.46
Rot. Bonds3

About 5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride

5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride (PubChem CID 82918805) has the molecular formula C12H11Cl2FN2O2S and a molecular weight of 337.20 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride
PubChem CID82918805
Molecular FormulaC12H11Cl2FN2O2S
Molecular Weight337.20 g/mol
Exact Mass335.99
IUPAC Name5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride
SMILESCCc1nn(-c2ccc(F)cc2C)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C12H11Cl2FN2O2S/c1-3-9-11(20(14,18)19)12(13)17(16-9)10-5-4-8(15)6-7(10)2/h4-6H,3H2,1-2H3
InChIKeyMZEDQXUBUSQLDZ-UHFFFAOYSA-N
XLogP3.46
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride (CID 82918805) is 5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride is CCc1nn(-c2ccc(F)cc2C)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride?
The InChIKey is MZEDQXUBUSQLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN2O2S/c1-3-9-11(20(14,18)19)12(13)17(16-9)10-5-4-8(15)6-7(10)2/h4-6H,3H2,1-2H3.
What are the key properties of 5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride?
5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride has a molecular weight of 337.20 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82918805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).