1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole

C14H14F3N3O3S — CID 154581801

IUPAC1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N1CC(Cn2ccnc2)C1
InChIInChI=1S/C14H14F3N3O3S/c15-14(16,17)23-12-3-1-2-4-13(12)24(21,22)20-8-11(9-20)7-19-6-5-18-10-19/h1-6,10-11H,7-9H2
InChIKeyQVXBIGBBQOPSPH-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.10
Rot. Bonds5

About 1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole

1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole (PubChem CID 154581801) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is 1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole
PubChem CID154581801
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Name1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N1CC(Cn2ccnc2)C1
InChIInChI=1S/C14H14F3N3O3S/c15-14(16,17)23-12-3-1-2-4-13(12)24(21,22)20-8-11(9-20)7-19-6-5-18-10-19/h1-6,10-11H,7-9H2
InChIKeyQVXBIGBBQOPSPH-UHFFFAOYSA-N
XLogP2.10
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole?
The IUPAC name of 1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole (CID 154581801) is 1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole.
What is the SMILES notation for 1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole?
The canonical SMILES for 1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole is O=S(=O)(c1ccccc1OC(F)(F)F)N1CC(Cn2ccnc2)C1.
What is the InChIKey of 1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole?
The InChIKey is QVXBIGBBQOPSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c15-14(16,17)23-12-3-1-2-4-13(12)24(21,22)20-8-11(9-20)7-19-6-5-18-10-19/h1-6,10-11H,7-9H2.
What are the key properties of 1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole?
1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole has a molecular weight of 361.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methyl]imidazole is sourced from PubChem (CID 154581801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).