1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride

C9H5ClF2N2O2S — CID 43531743

IUPAC1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C9H5ClF2N2O2S/c10-17(15,16)7-4-13-14(5-7)9-2-1-6(11)3-8(9)12/h1-5H
InChIKeyKWHIYYOCZSZCIS-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.08
Rot. Bonds2

About 1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride

1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride (PubChem CID 43531743) has the molecular formula C9H5ClF2N2O2S and a molecular weight of 278.67 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride
PubChem CID43531743
Molecular FormulaC9H5ClF2N2O2S
Molecular Weight278.67 g/mol
Exact Mass277.97
IUPAC Name1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C9H5ClF2N2O2S/c10-17(15,16)7-4-13-14(5-7)9-2-1-6(11)3-8(9)12/h1-5H
InChIKeyKWHIYYOCZSZCIS-UHFFFAOYSA-N
XLogP2.08
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride (CID 43531743) is 1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(-c2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride?
The InChIKey is KWHIYYOCZSZCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2S/c10-17(15,16)7-4-13-14(5-7)9-2-1-6(11)3-8(9)12/h1-5H.
What are the key properties of 1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride?
1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride has a molecular weight of 278.67 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 43531743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).