1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

C18H15F3N2O5S — CID 46351356

IUPAC1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15F3N2O5S/c19-18(20,21)28-13-8-6-12(7-9-13)22-17(25)15-10-11-16(24)23(15)29(26,27)14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H,22,25)
InChIKeyMVZVDAOEAUMBFX-UHFFFAOYSA-N
MW428.39 g/mol
LogP2.90
Rot. Bonds5

About 1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 46351356) has the molecular formula C18H15F3N2O5S and a molecular weight of 428.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID46351356
Molecular FormulaC18H15F3N2O5S
Molecular Weight428.39 g/mol
Exact Mass428.07
IUPAC Name1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15F3N2O5S/c19-18(20,21)28-13-8-6-12(7-9-13)22-17(25)15-10-11-16(24)23(15)29(26,27)14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H,22,25)
InChIKeyMVZVDAOEAUMBFX-UHFFFAOYSA-N
XLogP2.90
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648500
(2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide
CID 92726400
1-(benzenesulfonyl)-N-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 126803928
1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide
CID 110387732
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 1093265
1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110387691
(2R)-N-(3,4-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 1294852
1-(2-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123293205
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 93072370
(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 93072342
ethyl 3-[[(2R)-1-(4-fluorophenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate
CID 93059322
(2R)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 2212556

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide (CID 46351356) is 1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCC(=O)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MVZVDAOEAUMBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O5S/c19-18(20,21)28-13-8-6-12(7-9-13)22-17(25)15-10-11-16(24)23(15)29(26,27)14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H,22,25).
What are the key properties of 1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 428.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46351356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).