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

C6H7ClF2N2O3S — CID 122170362

IUPAC1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCOCc1nn(C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H7ClF2N2O3S/c1-14-3-4-5(15(7,12)13)2-11(10-4)6(8)9/h2,6H,3H2,1H3
InChIKeyKWMUZJWBHMRLJO-UHFFFAOYSA-N
MW260.65 g/mol
LogP1.35
Rot. Bonds4

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

1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride (PubChem CID 122170362) has the molecular formula C6H7ClF2N2O3S and a molecular weight of 260.65 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
PubChem CID122170362
Molecular FormulaC6H7ClF2N2O3S
Molecular Weight260.65 g/mol
Exact Mass259.98
IUPAC Name1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCOCc1nn(C(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H7ClF2N2O3S/c1-14-3-4-5(15(7,12)13)2-11(10-4)6(8)9/h2,6H,3H2,1H3
InChIKeyKWMUZJWBHMRLJO-UHFFFAOYSA-N
XLogP1.35
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride (CID 122170362) is 1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride is COCc1nn(C(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is KWMUZJWBHMRLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2O3S/c1-14-3-4-5(15(7,12)13)2-11(10-4)6(8)9/h2,6H,3H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride?
1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 260.65 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 122170362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).