5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide

C21H26FN3O3S — CID 31737983

IUPAC5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C21H26FN3O3S/c1-24(2)29(27,28)18-8-9-20(25-12-3-4-13-25)19(15-18)21(26)23-11-10-16-6-5-7-17(22)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,23,26)
InChIKeyFAIGERKNPNWVAL-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.65
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 31737983) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID31737983
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C21H26FN3O3S/c1-24(2)29(27,28)18-8-9-20(25-12-3-4-13-25)19(15-18)21(26)23-11-10-16-6-5-7-17(22)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,23,26)
InChIKeyFAIGERKNPNWVAL-UHFFFAOYSA-N
XLogP2.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 16558784
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 55908803
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 25326377
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514587
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-benzyl-5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-ylbenzamide
CID 29200489
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 55673941
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 25162057

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide (CID 31737983) is 5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCc2cccc(F)c2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is FAIGERKNPNWVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-24(2)29(27,28)18-8-9-20(25-12-3-4-13-25)19(15-18)21(26)23-11-10-16-6-5-7-17(22)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,23,26).
What are the key properties of 5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 419.52 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 31737983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).