1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride

C7H11ClN2O2S — CID 17024786

IUPAC1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCCn1nc(C)c(S(=O)(=O)Cl)c1C
InChIInChI=1S/C7H11ClN2O2S/c1-4-10-6(3)7(5(2)9-10)13(8,11)12/h4H2,1-3H3
InChIKeyRQCJMZFSOMFEOT-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.45
Rot. Bonds2

About 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride

1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride (PubChem CID 17024786) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride
PubChem CID17024786
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCCn1nc(C)c(S(=O)(=O)Cl)c1C
InChIInChI=1S/C7H11ClN2O2S/c1-4-10-6(3)7(5(2)9-10)13(8,11)12/h4H2,1-3H3
InChIKeyRQCJMZFSOMFEOT-UHFFFAOYSA-N
XLogP1.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.45
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
N-cyclopentyl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3235601
3,5-diethyl-1-methyl-1H-pyrazole-4-sulfonamide
CID 71756970
1,3,5-Trimethyl-1H-pyrazole-4-sulfonic acid
CID 3102534
1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485338
1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 6485421
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
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
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride (CID 17024786) is 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride is CCn1nc(C)c(S(=O)(=O)Cl)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride?
The InChIKey is RQCJMZFSOMFEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-4-10-6(3)7(5(2)9-10)13(8,11)12/h4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride?
1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 17024786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).