3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride

C7H11ClN2O2S — CID 165475151

IUPAC3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride
SMILESCn1cncc1CCCS(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O2S/c1-10-6-9-5-7(10)3-2-4-13(8,11)12/h5-6H,2-4H2,1H3
InChIKeyBYUPKGXHDBWXEX-UHFFFAOYSA-N
MW222.70 g/mol
LogP0.92
Rot. Bonds4

About 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride

3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride (PubChem CID 165475151) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride
PubChem CID165475151
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride
SMILESCn1cncc1CCCS(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O2S/c1-10-6-9-5-7(10)3-2-4-13(8,11)12/h5-6H,2-4H2,1H3
InChIKeyBYUPKGXHDBWXEX-UHFFFAOYSA-N
XLogP0.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride (CID 165475151) is 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride is Cn1cncc1CCCS(=O)(=O)Cl.
What is the InChIKey of 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride?
The InChIKey is BYUPKGXHDBWXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-10-6-9-5-7(10)3-2-4-13(8,11)12/h5-6H,2-4H2,1H3.
What are the key properties of 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride?
3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 165475151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).