1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide

C12H13F3N2O4S — CID 90513254

IUPAC1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)Nc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C12H13F3N2O4S/c1-22(19,20)17-6-8(7-17)11(18)16-9-4-2-3-5-10(9)21-12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,18)
InChIKeyFMLXSJZWRKMAFT-UHFFFAOYSA-N
MW338.31 g/mol
LogP1.42
Rot. Bonds4

About 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide

1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide (PubChem CID 90513254) has the molecular formula C12H13F3N2O4S and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
PubChem CID90513254
Molecular FormulaC12H13F3N2O4S
Molecular Weight338.31 g/mol
Exact Mass338.05
IUPAC Name1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)Nc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C12H13F3N2O4S/c1-22(19,20)17-6-8(7-17)11(18)16-9-4-2-3-5-10(9)21-12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,18)
InChIKeyFMLXSJZWRKMAFT-UHFFFAOYSA-N
XLogP1.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide 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

N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
N-(2-carbamoylphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513266
5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 78981617
N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51320655
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
1-(2-bromophenyl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46587243
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 43034361
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46671621
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 121128871
N-[2-amino-3-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
CID 162470725
1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 35750813

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide (CID 90513254) is 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide is CS(=O)(=O)N1CC(C(=O)Nc2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
The InChIKey is FMLXSJZWRKMAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O4S/c1-22(19,20)17-6-8(7-17)11(18)16-9-4-2-3-5-10(9)21-12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,18).
What are the key properties of 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide?
1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide has a molecular weight of 338.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[2-(trifluoromethoxy)phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 90513254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).