3-methyl-1-propylpyrazole-4-sulfonyl chloride

C7H11ClN2O2S — CID 19620088

IUPAC3-methyl-1-propylpyrazole-4-sulfonyl chloride
SMILESCCCn1cc(S(=O)(=O)Cl)c(C)n1
InChIInChI=1S/C7H11ClN2O2S/c1-3-4-10-5-7(6(2)9-10)13(8,11)12/h5H,3-4H2,1-2H3
InChIKeyMHMMJWSVCOHMGK-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.53
Rot. Bonds3

About 3-methyl-1-propylpyrazole-4-sulfonyl chloride

3-methyl-1-propylpyrazole-4-sulfonyl chloride (PubChem CID 19620088) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 3-methyl-1-propylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-1-propylpyrazole-4-sulfonyl chloride
PubChem CID19620088
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name3-methyl-1-propylpyrazole-4-sulfonyl chloride
SMILESCCCn1cc(S(=O)(=O)Cl)c(C)n1
InChIInChI=1S/C7H11ClN2O2S/c1-3-4-10-5-7(6(2)9-10)13(8,11)12/h5H,3-4H2,1-2H3
InChIKeyMHMMJWSVCOHMGK-UHFFFAOYSA-N
XLogP1.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propylpyrazole-4-sulfonyl chloride?
The IUPAC name of 3-methyl-1-propylpyrazole-4-sulfonyl chloride (CID 19620088) is 3-methyl-1-propylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-methyl-1-propylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-methyl-1-propylpyrazole-4-sulfonyl chloride is CCCn1cc(S(=O)(=O)Cl)c(C)n1.
What is the InChIKey of 3-methyl-1-propylpyrazole-4-sulfonyl chloride?
The InChIKey is MHMMJWSVCOHMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-3-4-10-5-7(6(2)9-10)13(8,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 3-methyl-1-propylpyrazole-4-sulfonyl chloride?
3-methyl-1-propylpyrazole-4-sulfonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 19620088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).