1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole

C16H13FN2O2S — CID 152554571

IUPAC1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole
SMILESO=S(=O)(Cn1ccnc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2S/c17-14-6-8-15(9-7-14)22(20,21)12-19-11-10-18-16(19)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyYOEVFVWMPAOHEM-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.12
Rot. Bonds4

About 1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole

1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole (PubChem CID 152554571) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole
PubChem CID152554571
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole
SMILESO=S(=O)(Cn1ccnc1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2S/c17-14-6-8-15(9-7-14)22(20,21)12-19-11-10-18-16(19)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyYOEVFVWMPAOHEM-UHFFFAOYSA-N
XLogP3.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole?
The IUPAC name of 1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole (CID 152554571) is 1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole is O=S(=O)(Cn1ccnc1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole?
The InChIKey is YOEVFVWMPAOHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-14-6-8-15(9-7-14)22(20,21)12-19-11-10-18-16(19)13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole?
1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole has a molecular weight of 316.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)sulfonylmethyl]-2-phenylimidazole is sourced from PubChem (CID 152554571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).