5-methoxy-1-methylpyrazole-4-sulfonyl chloride

C5H7ClN2O3S — CID 84781376

IUPAC5-methoxy-1-methylpyrazole-4-sulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)cnn1C
InChIInChI=1S/C5H7ClN2O3S/c1-8-5(11-2)4(3-7-8)12(6,9)10/h3H,1-2H3
InChIKeyZWPNKKYPWVUXQX-UHFFFAOYSA-N
MW210.64 g/mol
LogP0.36
Rot. Bonds2

About 5-methoxy-1-methylpyrazole-4-sulfonyl chloride

5-methoxy-1-methylpyrazole-4-sulfonyl chloride (PubChem CID 84781376) has the molecular formula C5H7ClN2O3S and a molecular weight of 210.64 g/mol. Its IUPAC name is 5-methoxy-1-methylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-methoxy-1-methylpyrazole-4-sulfonyl chloride
PubChem CID84781376
Molecular FormulaC5H7ClN2O3S
Molecular Weight210.64 g/mol
Exact Mass209.99
IUPAC Name5-methoxy-1-methylpyrazole-4-sulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)cnn1C
InChIInChI=1S/C5H7ClN2O3S/c1-8-5(11-2)4(3-7-8)12(6,9)10/h3H,1-2H3
InChIKeyZWPNKKYPWVUXQX-UHFFFAOYSA-N
XLogP0.36
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-methoxy-1-methylpyrazole-4-sulfonyl chloride (CID 84781376) is 5-methoxy-1-methylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-methoxy-1-methylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-methoxy-1-methylpyrazole-4-sulfonyl chloride is COc1c(S(=O)(=O)Cl)cnn1C.
What is the InChIKey of 5-methoxy-1-methylpyrazole-4-sulfonyl chloride?
The InChIKey is ZWPNKKYPWVUXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O3S/c1-8-5(11-2)4(3-7-8)12(6,9)10/h3H,1-2H3.
What are the key properties of 5-methoxy-1-methylpyrazole-4-sulfonyl chloride?
5-methoxy-1-methylpyrazole-4-sulfonyl chloride has a molecular weight of 210.64 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 84781376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).