1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride

C11H9Cl2FN2O2S — CID 114857558

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H9Cl2FN2O2S/c1-7-15-11(19(13,17)18)6-16(7)5-8-2-3-9(12)4-10(8)14/h2-4,6H,5H2,1H3
InChIKeyJOGXUJCEEJDAHT-UHFFFAOYSA-N
MW323.18 g/mol
LogP2.96
Rot. Bonds3

About 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride

1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride (PubChem CID 114857558) has the molecular formula C11H9Cl2FN2O2S and a molecular weight of 323.18 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride
PubChem CID114857558
Molecular FormulaC11H9Cl2FN2O2S
Molecular Weight323.18 g/mol
Exact Mass321.97
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H9Cl2FN2O2S/c1-7-15-11(19(13,17)18)6-16(7)5-8-2-3-9(12)4-10(8)14/h2-4,6H,5H2,1H3
InChIKeyJOGXUJCEEJDAHT-UHFFFAOYSA-N
XLogP2.96
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-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-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride (CID 114857558) is 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)cn1Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride?
The InChIKey is JOGXUJCEEJDAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2O2S/c1-7-15-11(19(13,17)18)6-16(7)5-8-2-3-9(12)4-10(8)14/h2-4,6H,5H2,1H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride?
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride has a molecular weight of 323.18 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 114857558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).