4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole

C10H8ClFN2O2S — CID 141047351

IUPAC4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole
SMILESCn1cnc(S(=O)(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C10H8ClFN2O2S/c1-14-5-9(13-6-14)17(15,16)10-7(11)3-2-4-8(10)12/h2-6H,1H3
InChIKeyNJYDGVJVWGTNTC-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.05
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole

4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole (PubChem CID 141047351) has the molecular formula C10H8ClFN2O2S and a molecular weight of 274.70 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole
PubChem CID141047351
Molecular FormulaC10H8ClFN2O2S
Molecular Weight274.70 g/mol
Exact Mass274.00
IUPAC Name4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole
SMILESCn1cnc(S(=O)(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C10H8ClFN2O2S/c1-14-5-9(13-6-14)17(15,16)10-7(11)3-2-4-8(10)12/h2-6H,1H3
InChIKeyNJYDGVJVWGTNTC-UHFFFAOYSA-N
XLogP2.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole (CID 141047351) is 4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole is Cn1cnc(S(=O)(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole?
The InChIKey is NJYDGVJVWGTNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2S/c1-14-5-9(13-6-14)17(15,16)10-7(11)3-2-4-8(10)12/h2-6H,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole?
4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole has a molecular weight of 274.70 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)sulfonyl-1-methylimidazole is sourced from PubChem (CID 141047351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).