1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole

C14H17FN2O3S — CID 71865098

IUPAC1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole
SMILESCC(C)OCCS(=O)(=O)c1nccn1-c1cccc(F)c1
InChIInChI=1S/C14H17FN2O3S/c1-11(2)20-8-9-21(18,19)14-16-6-7-17(14)13-5-3-4-12(15)10-13/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHOJLEQBTXKKKED-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.21
Rot. Bonds6

About 1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole

1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole (PubChem CID 71865098) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole
PubChem CID71865098
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole
SMILESCC(C)OCCS(=O)(=O)c1nccn1-c1cccc(F)c1
InChIInChI=1S/C14H17FN2O3S/c1-11(2)20-8-9-21(18,19)14-16-6-7-17(14)13-5-3-4-12(15)10-13/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHOJLEQBTXKKKED-UHFFFAOYSA-N
XLogP2.21
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole (CID 71865098) is 1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole is CC(C)OCCS(=O)(=O)c1nccn1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole?
The InChIKey is HOJLEQBTXKKKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-11(2)20-8-9-21(18,19)14-16-6-7-17(14)13-5-3-4-12(15)10-13/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole?
1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole has a molecular weight of 312.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-propan-2-yloxyethylsulfonyl)imidazole is sourced from PubChem (CID 71865098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).