2-ethyl-5-methylpyrazole-3-sulfonyl chloride

C6H9ClN2O2S — CID 50896562

IUPAC2-ethyl-5-methylpyrazole-3-sulfonyl chloride
SMILESCCn1nc(C)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H9ClN2O2S/c1-3-9-6(12(7,10)11)4-5(2)8-9/h4H,3H2,1-2H3
InChIKeyQQBFNCQPUTUDPV-UHFFFAOYSA-N
MW208.67 g/mol
LogP1.14
Rot. Bonds2

About 2-ethyl-5-methylpyrazole-3-sulfonyl chloride

2-ethyl-5-methylpyrazole-3-sulfonyl chloride (PubChem CID 50896562) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 2-ethyl-5-methylpyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-5-methylpyrazole-3-sulfonyl chloride
PubChem CID50896562
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name2-ethyl-5-methylpyrazole-3-sulfonyl chloride
SMILESCCn1nc(C)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H9ClN2O2S/c1-3-9-6(12(7,10)11)4-5(2)8-9/h4H,3H2,1-2H3
InChIKeyQQBFNCQPUTUDPV-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylpyrazole-3-sulfonyl chloride?
The IUPAC name of 2-ethyl-5-methylpyrazole-3-sulfonyl chloride (CID 50896562) is 2-ethyl-5-methylpyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-5-methylpyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-ethyl-5-methylpyrazole-3-sulfonyl chloride is CCn1nc(C)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-5-methylpyrazole-3-sulfonyl chloride?
The InChIKey is QQBFNCQPUTUDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S/c1-3-9-6(12(7,10)11)4-5(2)8-9/h4H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methylpyrazole-3-sulfonyl chloride?
2-ethyl-5-methylpyrazole-3-sulfonyl chloride has a molecular weight of 208.67 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylpyrazole-3-sulfonyl chloride is sourced from PubChem (CID 50896562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).