3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

C17H21F3N2O3S — CID 71809353

IUPAC3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H21F3N2O3S/c18-17(19,20)12-6-8-13(9-7-12)21-16(23)22-10-15(11-22)26(24,25)14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-11H2,(H,21,23)
InChIKeyFYTDUQFUEXDXFP-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.67
Rot. Bonds3

About 3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide (PubChem CID 71809353) has the molecular formula C17H21F3N2O3S and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
PubChem CID71809353
Molecular FormulaC17H21F3N2O3S
Molecular Weight390.43 g/mol
Exact Mass390.12
IUPAC Name3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H21F3N2O3S/c18-17(19,20)12-6-8-13(9-7-12)21-16(23)22-10-15(11-22)26(24,25)14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-11H2,(H,21,23)
InChIKeyFYTDUQFUEXDXFP-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide
CID 71809355
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 56823749
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 97444411
(2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 1479217
3-methylsulfonyl-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 90591134
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58866968
3-pyridin-4-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122255985
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
4-[(1-methylpiperidin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 11581776
(3R)-3-(triazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 99877427

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide (CID 71809353) is 3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The InChIKey is FYTDUQFUEXDXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3S/c18-17(19,20)12-6-8-13(9-7-12)21-16(23)22-10-15(11-22)26(24,25)14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-11H2,(H,21,23).
What are the key properties of 3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide has a molecular weight of 390.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 71809353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).