1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride

C7H9ClF2N2O3S — CID 122170375

IUPAC1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCCOCc1nn(C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2N2O3S/c1-2-15-4-5-6(16(8,13)14)3-12(11-5)7(9)10/h3,7H,2,4H2,1H3
InChIKeyHKIFLKXCEWOSBG-UHFFFAOYSA-N
MW274.68 g/mol
LogP1.74
Rot. Bonds5

About 1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride

1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride (PubChem CID 122170375) has the molecular formula C7H9ClF2N2O3S and a molecular weight of 274.68 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride
PubChem CID122170375
Molecular FormulaC7H9ClF2N2O3S
Molecular Weight274.68 g/mol
Exact Mass274.00
IUPAC Name1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCCOCc1nn(C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClF2N2O3S/c1-2-15-4-5-6(16(8,13)14)3-12(11-5)7(9)10/h3,7H,2,4H2,1H3
InChIKeyHKIFLKXCEWOSBG-UHFFFAOYSA-N
XLogP1.74
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride (CID 122170375) is 1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride is CCOCc1nn(C(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is HKIFLKXCEWOSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O3S/c1-2-15-4-5-6(16(8,13)14)3-12(11-5)7(9)10/h3,7H,2,4H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride?
1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 274.68 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-(ethoxymethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 122170375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).