4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride

C5H6Cl2N2O3S — CID 91654369

IUPAC4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride
SMILESCOCn1ncc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C5H6Cl2N2O3S/c1-12-3-9-5(13(7,10)11)4(6)2-8-9/h2H,3H2,1H3
InChIKeyMCKWJPWHQCVJKG-UHFFFAOYSA-N
MW245.09 g/mol
LogP1.07
Rot. Bonds3

About 4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride

4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride (PubChem CID 91654369) has the molecular formula C5H6Cl2N2O3S and a molecular weight of 245.09 g/mol. Its IUPAC name is 4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride
PubChem CID91654369
Molecular FormulaC5H6Cl2N2O3S
Molecular Weight245.09 g/mol
Exact Mass243.95
IUPAC Name4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride
SMILESCOCn1ncc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C5H6Cl2N2O3S/c1-12-3-9-5(13(7,10)11)4(6)2-8-9/h2H,3H2,1H3
InChIKeyMCKWJPWHQCVJKG-UHFFFAOYSA-N
XLogP1.07
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride?
The IUPAC name of 4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride (CID 91654369) is 4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride.
What is the SMILES notation for 4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride?
The canonical SMILES for 4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride is COCn1ncc(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride?
The InChIKey is MCKWJPWHQCVJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2O3S/c1-12-3-9-5(13(7,10)11)4(6)2-8-9/h2H,3H2,1H3.
What are the key properties of 4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride?
4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride has a molecular weight of 245.09 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(methoxymethyl)pyrazole-5-sulfonyl chloride is sourced from PubChem (CID 91654369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).