2-(methoxymethyl)pyrazole-3-sulfonyl chloride

C5H7ClN2O3S — CID 75481045

IUPAC2-(methoxymethyl)pyrazole-3-sulfonyl chloride
SMILESCOCn1nccc1S(=O)(=O)Cl
InChIInChI=1S/C5H7ClN2O3S/c1-11-4-8-5(2-3-7-8)12(6,9)10/h2-3H,4H2,1H3
InChIKeyYEDQYIREWASRGU-UHFFFAOYSA-N
MW210.64 g/mol
LogP0.41
Rot. Bonds3

About 2-(methoxymethyl)pyrazole-3-sulfonyl chloride

2-(methoxymethyl)pyrazole-3-sulfonyl chloride (PubChem CID 75481045) has the molecular formula C5H7ClN2O3S and a molecular weight of 210.64 g/mol. Its IUPAC name is 2-(methoxymethyl)pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(methoxymethyl)pyrazole-3-sulfonyl chloride
PubChem CID75481045
Molecular FormulaC5H7ClN2O3S
Molecular Weight210.64 g/mol
Exact Mass209.99
IUPAC Name2-(methoxymethyl)pyrazole-3-sulfonyl chloride
SMILESCOCn1nccc1S(=O)(=O)Cl
InChIInChI=1S/C5H7ClN2O3S/c1-11-4-8-5(2-3-7-8)12(6,9)10/h2-3H,4H2,1H3
InChIKeyYEDQYIREWASRGU-UHFFFAOYSA-N
XLogP0.41
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)pyrazole-3-sulfonyl chloride?
The IUPAC name of 2-(methoxymethyl)pyrazole-3-sulfonyl chloride (CID 75481045) is 2-(methoxymethyl)pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-(methoxymethyl)pyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-(methoxymethyl)pyrazole-3-sulfonyl chloride is COCn1nccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(methoxymethyl)pyrazole-3-sulfonyl chloride?
The InChIKey is YEDQYIREWASRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O3S/c1-11-4-8-5(2-3-7-8)12(6,9)10/h2-3H,4H2,1H3.
What are the key properties of 2-(methoxymethyl)pyrazole-3-sulfonyl chloride?
2-(methoxymethyl)pyrazole-3-sulfonyl chloride has a molecular weight of 210.64 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 75481045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).