1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride

C10H7Cl2FN2O2S — CID 103040669

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(Cc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C10H7Cl2FN2O2S/c11-8-3-7(1-2-9(8)13)4-15-5-10(14-6-15)18(12,16)17/h1-3,5-6H,4H2
InChIKeyQWZPCBOCCOWYOZ-UHFFFAOYSA-N
MW309.15 g/mol
LogP2.65
Rot. Bonds3

About 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride

1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride (PubChem CID 103040669) has the molecular formula C10H7Cl2FN2O2S and a molecular weight of 309.15 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
PubChem CID103040669
Molecular FormulaC10H7Cl2FN2O2S
Molecular Weight309.15 g/mol
Exact Mass307.96
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(Cc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C10H7Cl2FN2O2S/c11-8-3-7(1-2-9(8)13)4-15-5-10(14-6-15)18(12,16)17/h1-3,5-6H,4H2
InChIKeyQWZPCBOCCOWYOZ-UHFFFAOYSA-N
XLogP2.65
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-chloro-4-fluorophenyl)methyl]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

Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide
CID 103042428
1-[(4-chloro-3-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
CID 107885615
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 103040930
1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide
CID 81340177
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]-N-ethylethanamine
CID 103040932
1-(2-fluoroethyl)imidazole-4-sulfonyl chloride
CID 80694960
1-[(4-tert-butylphenyl)methyl]imidazole-4-sulfonamide
CID 81339885
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-but-3-enylimidazole-4-sulfonyl chloride
CID 82913789
3-[(3-chloro-4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99827301
1-prop-2-enylimidazole-4-sulfonyl chloride
CID 82911418
1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride
CID 82911409

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride (CID 103040669) is 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cn(Cc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride?
The InChIKey is QWZPCBOCCOWYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2O2S/c11-8-3-7(1-2-9(8)13)4-15-5-10(14-6-15)18(12,16)17/h1-3,5-6H,4H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride?
1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride has a molecular weight of 309.15 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride is sourced from PubChem (CID 103040669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).