1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride

C6H9ClN2O3S — CID 60912505

IUPAC1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride
SMILESCOCCn1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C6H9ClN2O3S/c1-12-3-2-9-5-6(4-8-9)13(7,10)11/h4-5H,2-3H2,1H3
InChIKeyDQABRQGINUJMAQ-UHFFFAOYSA-N
MW224.67 g/mol
LogP0.46
Rot. Bonds4

About 1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride

1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride (PubChem CID 60912505) has the molecular formula C6H9ClN2O3S and a molecular weight of 224.67 g/mol. Its IUPAC name is 1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride
PubChem CID60912505
Molecular FormulaC6H9ClN2O3S
Molecular Weight224.67 g/mol
Exact Mass224.00
IUPAC Name1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride
SMILESCOCCn1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C6H9ClN2O3S/c1-12-3-2-9-5-6(4-8-9)13(7,10)11/h4-5H,2-3H2,1H3
InChIKeyDQABRQGINUJMAQ-UHFFFAOYSA-N
XLogP0.46
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride (CID 60912505) is 1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride is COCCn1cc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is DQABRQGINUJMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O3S/c1-12-3-2-9-5-6(4-8-9)13(7,10)11/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride?
1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 224.67 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 60912505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).