5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

C20H22F3N3O4S — CID 26289008

IUPAC5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C20H22F3N3O4S/c1-25(2)31(28,29)16-9-10-18(26-11-3-4-12-26)17(13-16)19(27)24-14-5-7-15(8-6-14)30-20(21,22)23/h5-10,13H,3-4,11-12H2,1-2H3,(H,24,27)
InChIKeyVYPJGTZLWMCIRQ-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.69
Rot. Bonds6

About 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 26289008) has the molecular formula C20H22F3N3O4S and a molecular weight of 457.47 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID26289008
Molecular FormulaC20H22F3N3O4S
Molecular Weight457.47 g/mol
Exact Mass457.13
IUPAC Name5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C20H22F3N3O4S/c1-25(2)31(28,29)16-9-10-18(26-11-3-4-12-26)17(13-16)19(27)24-14-5-7-15(8-6-14)30-20(21,22)23/h5-10,13H,3-4,11-12H2,1-2H3,(H,24,27)
InChIKeyVYPJGTZLWMCIRQ-UHFFFAOYSA-N
XLogP3.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide 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

5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 37491987
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-(dimethylsulfamoyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55882250
5-(dimethylsulfamoyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55962545
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-piperidin-1-ylbenzamide
CID 55812100
N-(2,5-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24979674
N-[4-[benzyl(methyl)amino]phenyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 60536402
N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 30274722
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
5-(dimethylsulfamoyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-piperidin-1-ylbenzamide
CID 22108957

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 26289008) is 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is VYPJGTZLWMCIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4S/c1-25(2)31(28,29)16-9-10-18(26-11-3-4-12-26)17(13-16)19(27)24-14-5-7-15(8-6-14)30-20(21,22)23/h5-10,13H,3-4,11-12H2,1-2H3,(H,24,27).
What are the key properties of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 457.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 26289008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).