N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C19H20F2N2O3S — CID 24639477

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H20F2N2O3S/c20-15-9-7-14(8-10-15)11-12-22-19(24)17-5-3-13-23(17)27(25,26)18-6-2-1-4-16(18)21/h1-2,4,6-10,17H,3,5,11-13H2,(H,22,24)
InChIKeyLYJATJAPPMUTOI-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.48
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 24639477) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID24639477
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H20F2N2O3S/c20-15-9-7-14(8-10-15)11-12-22-19(24)17-5-3-13-23(17)27(25,26)18-6-2-1-4-16(18)21/h1-2,4,6-10,17H,3,5,11-13H2,(H,22,24)
InChIKeyLYJATJAPPMUTOI-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 26644505
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
(2R)-1-(2-fluorophenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 30539777
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 11936672
1-(2-fluorophenyl)sulfonyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 24642299
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
N-[2-(4-fluorophenyl)ethyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27532247
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 6622426
1-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 24654361
1-(4-bromophenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 24619780

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 24639477) is N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NCCc1ccc(F)cc1)C1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is LYJATJAPPMUTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c20-15-9-7-14(8-10-15)11-12-22-19(24)17-5-3-13-23(17)27(25,26)18-6-2-1-4-16(18)21/h1-2,4,6-10,17H,3,5,11-13H2,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24639477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).