N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide

C16H23FN2O3S — CID 97039416

IUPACN-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O
InChIInChI=1S/C16H23FN2O3S/c1-12(2)23(21,22)18-11-15(19-8-4-7-16(19)20)10-13-5-3-6-14(17)9-13/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyVHPXEYGNRPTLMR-HNNXBMFYSA-N
MW342.44 g/mol
LogP1.69
Rot. Bonds7

About N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide

N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide (PubChem CID 97039416) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide
PubChem CID97039416
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O
InChIInChI=1S/C16H23FN2O3S/c1-12(2)23(21,22)18-11-15(19-8-4-7-16(19)20)10-13-5-3-6-14(17)9-13/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyVHPXEYGNRPTLMR-HNNXBMFYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-((R)-3-(4-fluorobenzylsulfonyl)-2-amino-3-methylbutanoyl)-4-fluoropyrrolidine-2-carbonitrile
CID 10112957
(2S,4S)-1-((R)-2-amino-3-(benzylsulfonyl)-3-methylbutanoyl)-4-fluoropyrrolidine-2-carbonitrile
CID 10135822
(2S,4S)-1-((R)-2-amino-3-methyl-3-(3-phenylpropylsulfonyl)butanoyl)-4-fluoropyrrolidine-2-carbonitrile
CID 10200731
(2S,4S)-1-((R)-2-amino-3-methyl-3-p-tolylmethanesulfonyl-butyryl)-4-fluoro-pyrrolidine-2-carbonitrile
CID 10271196
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)benzenesulfonamide
CID 11362130
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)methanesulfonamide
CID 45268436
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-1,1,1-trifluoromethanesulfonamide
CID 45269275
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2,2,2-trifluoroethanesulfonamide
CID 45269276
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-4-fluorobenzenesulfonamide
CID 45269976
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2-fluorobenzenesulfonamide
CID 45270806
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-3-fluorobenzenesulfonamide
CID 45273390
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)cyclopropanesulfonamide
CID 45273404

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide (CID 97039416) is N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O.
What is the InChIKey of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide?
The InChIKey is VHPXEYGNRPTLMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-12(2)23(21,22)18-11-15(19-8-4-7-16(19)20)10-13-5-3-6-14(17)9-13/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide?
N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide has a molecular weight of 342.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 97039416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).