3-ethyl-1-methylpyrazole-4-sulfonyl chloride

C6H9ClN2O2S — CID 55208440

IUPAC3-ethyl-1-methylpyrazole-4-sulfonyl chloride
SMILESCCc1nn(C)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H9ClN2O2S/c1-3-5-6(12(7,10)11)4-9(2)8-5/h4H,3H2,1-2H3
InChIKeyHRSCJNAABNELAR-UHFFFAOYSA-N
MW208.67 g/mol
LogP0.91
Rot. Bonds2

About 3-ethyl-1-methylpyrazole-4-sulfonyl chloride

3-ethyl-1-methylpyrazole-4-sulfonyl chloride (PubChem CID 55208440) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 3-ethyl-1-methylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-ethyl-1-methylpyrazole-4-sulfonyl chloride
PubChem CID55208440
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name3-ethyl-1-methylpyrazole-4-sulfonyl chloride
SMILESCCc1nn(C)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H9ClN2O2S/c1-3-5-6(12(7,10)11)4-9(2)8-5/h4H,3H2,1-2H3
InChIKeyHRSCJNAABNELAR-UHFFFAOYSA-N
XLogP0.91
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 4635707
1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 13342783
3-Methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 19620090
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 2794561
1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485338
1-(difluoromethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485422
1-Ethyl-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024580
1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024754
3-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 19576914
1-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 50896808
4H,5H,6H-Pyrrolo[1,2-B]pyrazole-3-sulfonyl chloride
CID 55279479
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 66020430

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpyrazole-4-sulfonyl chloride?
The IUPAC name of 3-ethyl-1-methylpyrazole-4-sulfonyl chloride (CID 55208440) is 3-ethyl-1-methylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-ethyl-1-methylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-ethyl-1-methylpyrazole-4-sulfonyl chloride is CCc1nn(C)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-ethyl-1-methylpyrazole-4-sulfonyl chloride?
The InChIKey is HRSCJNAABNELAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S/c1-3-5-6(12(7,10)11)4-9(2)8-5/h4H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methylpyrazole-4-sulfonyl chloride?
3-ethyl-1-methylpyrazole-4-sulfonyl chloride has a molecular weight of 208.67 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 55208440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).