1,5-diethylpyrazole-4-sulfonyl chloride

C7H11ClN2O2S — CID 45156551

IUPAC1,5-diethylpyrazole-4-sulfonyl chloride
SMILESCCc1c(S(=O)(=O)Cl)cnn1CC
InChIInChI=1S/C7H11ClN2O2S/c1-3-6-7(13(8,11)12)5-9-10(6)4-2/h5H,3-4H2,1-2H3
InChIKeySVEWRNXANPVKSD-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.39
Rot. Bonds3

About 1,5-diethylpyrazole-4-sulfonyl chloride

1,5-diethylpyrazole-4-sulfonyl chloride (PubChem CID 45156551) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 1,5-diethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1,5-diethylpyrazole-4-sulfonyl chloride
PubChem CID45156551
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name1,5-diethylpyrazole-4-sulfonyl chloride
SMILESCCc1c(S(=O)(=O)Cl)cnn1CC
InChIInChI=1S/C7H11ClN2O2S/c1-3-6-7(13(8,11)12)5-9-10(6)4-2/h5H,3-4H2,1-2H3
InChIKeySVEWRNXANPVKSD-UHFFFAOYSA-N
XLogP1.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-5-methylpyrazole-4-sulfonyl chloride
CID 19620104
4-bromo-1,5-diethylpyrazole
CID 66959053
1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole
CID 135209476
5-(butan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride
CID 122171213
2-ethyl-1,2,4-triazole-3-sulfonyl chloride
CID 130529956
1-butan-2-yl-5-(ethoxymethyl)pyrazole-4-sulfonyl chloride
CID 122171146
5-(butoxymethyl)-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 122171182
1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride
CID 122171192
5-(butan-2-yloxymethyl)-1-cyclopentylpyrazole-4-sulfonyl chloride
CID 122171211
1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682093
1-(1,5-diethylpyrazol-4-yl)ethanamine
CID 23005787
1-ethyl-3-propan-2-ylpyrazole-5-sulfonyl chloride
CID 62409302

Frequently Asked Questions

What is the IUPAC name of 1,5-diethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1,5-diethylpyrazole-4-sulfonyl chloride (CID 45156551) is 1,5-diethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1,5-diethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1,5-diethylpyrazole-4-sulfonyl chloride is CCc1c(S(=O)(=O)Cl)cnn1CC.
What is the InChIKey of 1,5-diethylpyrazole-4-sulfonyl chloride?
The InChIKey is SVEWRNXANPVKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-3-6-7(13(8,11)12)5-9-10(6)4-2/h5H,3-4H2,1-2H3.
What are the key properties of 1,5-diethylpyrazole-4-sulfonyl chloride?
1,5-diethylpyrazole-4-sulfonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 45156551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).