1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

C6H7ClF2N2O2S — CID 6485421

IUPAC1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C6H7ClF2N2O2S/c1-3-5(14(7,12)13)4(2)11(10-3)6(8)9/h6H,1-2H3
InChIKeyHLIWWBFDPRHELR-UHFFFAOYSA-N
MW244.65 g/mol
LogP1.82
Rot. Bonds2

About 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride (PubChem CID 6485421) has the molecular formula C6H7ClF2N2O2S and a molecular weight of 244.65 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
PubChem CID6485421
Molecular FormulaC6H7ClF2N2O2S
Molecular Weight244.65 g/mol
Exact Mass243.99
IUPAC Name1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C6H7ClF2N2O2S/c1-3-5(14(7,12)13)4(2)11(10-3)6(8)9/h6H,1-2H3
InChIKeyHLIWWBFDPRHELR-UHFFFAOYSA-N
XLogP1.82
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-1H-pyrazole-4-sulfonyl chloride
CID 2737340
1,3,5-Trimethyl-1H-pyrazole-4-sulfonic acid
CID 3102534
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024786
1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 18981663
1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 43531775
3-(chloromethyl)-1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 12263077
3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622858
3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 43531726
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54593633
3,5-dimethyl-1-octyl-1H-pyrazole-4-sulfonyl chloride
CID 60912114
1-(methoxymethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 65365020

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride (CID 6485421) is 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride is Cc1nn(C(F)F)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The InChIKey is HLIWWBFDPRHELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N2O2S/c1-3-5(14(7,12)13)4(2)11(10-3)6(8)9/h6H,1-2H3.
What are the key properties of 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride has a molecular weight of 244.65 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 6485421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).