ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate

C22H23F3N2O5S — CID 32651205

IUPACethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H23F3N2O5S/c1-2-32-21(29)15-10-12-27(13-11-15)20(28)18-8-3-4-9-19(18)26-33(30,31)17-7-5-6-16(14-17)22(23,24)25/h3-9,14-15,26H,2,10-13H2,1H3
InChIKeyCVZDDOVDBVIGDA-UHFFFAOYSA-N
MW484.50 g/mol
LogP3.92
Rot. Bonds6

About ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate

ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate (PubChem CID 32651205) has the molecular formula C22H23F3N2O5S and a molecular weight of 484.50 g/mol. Its IUPAC name is ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate
PubChem CID32651205
Molecular FormulaC22H23F3N2O5S
Molecular Weight484.50 g/mol
Exact Mass484.13
IUPAC Nameethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H23F3N2O5S/c1-2-32-21(29)15-10-12-27(13-11-15)20(28)18-8-3-4-9-19(18)26-33(30,31)17-7-5-6-16(14-17)22(23,24)25/h3-9,14-15,26H,2,10-13H2,1H3
InChIKeyCVZDDOVDBVIGDA-UHFFFAOYSA-N
XLogP3.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30825076
N-[2-(2-methylmorpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24666353
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
ethyl 4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxylate
CID 123587350
ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 51163973
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
ethyl 1-[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 4096134
ethyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730817
ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 26591578
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-[2-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 4145245

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate (CID 32651205) is ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate?
The InChIKey is CVZDDOVDBVIGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O5S/c1-2-32-21(29)15-10-12-27(13-11-15)20(28)18-8-3-4-9-19(18)26-33(30,31)17-7-5-6-16(14-17)22(23,24)25/h3-9,14-15,26H,2,10-13H2,1H3.
What are the key properties of ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate?
ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate has a molecular weight of 484.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 32651205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).