5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride

C10H6Cl3FN2O2S — CID 82918237

IUPAC5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride
SMILESCc1nn(-c2ccc(Cl)c(F)c2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H6Cl3FN2O2S/c1-5-9(19(13,17)18)10(12)16(15-5)6-2-3-7(11)8(14)4-6/h2-4H,1H3
InChIKeyWNECEKCPUQFBTG-UHFFFAOYSA-N
MW343.59 g/mol
LogP3.55
Rot. Bonds2

About 5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride

5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride (PubChem CID 82918237) has the molecular formula C10H6Cl3FN2O2S and a molecular weight of 343.59 g/mol. Its IUPAC name is 5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride
PubChem CID82918237
Molecular FormulaC10H6Cl3FN2O2S
Molecular Weight343.59 g/mol
Exact Mass341.92
IUPAC Name5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride
SMILESCc1nn(-c2ccc(Cl)c(F)c2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H6Cl3FN2O2S/c1-5-9(19(13,17)18)10(12)16(15-5)6-2-3-7(11)8(14)4-6/h2-4H,1H3
InChIKeyWNECEKCPUQFBTG-UHFFFAOYSA-N
XLogP3.55
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.59
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride (CID 82918237) is 5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride is Cc1nn(-c2ccc(Cl)c(F)c2)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride?
The InChIKey is WNECEKCPUQFBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3FN2O2S/c1-5-9(19(13,17)18)10(12)16(15-5)6-2-3-7(11)8(14)4-6/h2-4H,1H3.
What are the key properties of 5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride?
5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride has a molecular weight of 343.59 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82918237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).