1-(2-methylpropyl)imidazole-4-sulfonyl chloride

C7H11ClN2O2S — CID 54595593

IUPAC1-(2-methylpropyl)imidazole-4-sulfonyl chloride
SMILESCC(C)Cn1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H11ClN2O2S/c1-6(2)3-10-4-7(9-5-10)13(8,11)12/h4-6H,3H2,1-2H3
InChIKeyCIBKLMOLSLHUCJ-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.47
Rot. Bonds3

About 1-(2-methylpropyl)imidazole-4-sulfonyl chloride

1-(2-methylpropyl)imidazole-4-sulfonyl chloride (PubChem CID 54595593) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 1-(2-methylpropyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-methylpropyl)imidazole-4-sulfonyl chloride
PubChem CID54595593
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name1-(2-methylpropyl)imidazole-4-sulfonyl chloride
SMILESCC(C)Cn1cnc(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H11ClN2O2S/c1-6(2)3-10-4-7(9-5-10)13(8,11)12/h4-6H,3H2,1-2H3
InChIKeyCIBKLMOLSLHUCJ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropyl)imidazole-4-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 1-(2-methylpropyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-methylpropyl)imidazole-4-sulfonyl chloride (CID 54595593) is 1-(2-methylpropyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-methylpropyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-methylpropyl)imidazole-4-sulfonyl chloride is CC(C)Cn1cnc(S(=O)(=O)Cl)c1.
What is the InChIKey of 1-(2-methylpropyl)imidazole-4-sulfonyl chloride?
The InChIKey is CIBKLMOLSLHUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-6(2)3-10-4-7(9-5-10)13(8,11)12/h4-6H,3H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)imidazole-4-sulfonyl chloride?
1-(2-methylpropyl)imidazole-4-sulfonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 54595593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).