4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride

C7H11ClN2O2S — CID 130118651

IUPAC4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride
SMILESCc1cnn(C(C)C)c1S(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O2S/c1-5(2)10-7(13(8,11)12)6(3)4-9-10/h4-5H,1-3H3
InChIKeyIZVNXQHPCRSNAR-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.70
Rot. Bonds2

About 4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride

4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride (PubChem CID 130118651) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride
PubChem CID130118651
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride
SMILESCc1cnn(C(C)C)c1S(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O2S/c1-5(2)10-7(13(8,11)12)6(3)4-9-10/h4-5H,1-3H3
InChIKeyIZVNXQHPCRSNAR-UHFFFAOYSA-N
XLogP1.70
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride?
The IUPAC name of 4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride (CID 130118651) is 4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride.
What is the SMILES notation for 4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride?
The canonical SMILES for 4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride is Cc1cnn(C(C)C)c1S(=O)(=O)Cl.
What is the InChIKey of 4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride?
The InChIKey is IZVNXQHPCRSNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-5(2)10-7(13(8,11)12)6(3)4-9-10/h4-5H,1-3H3.
What are the key properties of 4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride?
4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylpyrazole-5-sulfonyl chloride is sourced from PubChem (CID 130118651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).