(4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

C18H17F2NO4S — CID 11908700

IUPAC(4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C18H17F2NO4S/c19-14-9-7-13(8-10-14)12-25-18(22)16-5-3-11-21(16)26(23,24)17-6-2-1-4-15(17)20/h1-2,4,6-10,16H,3,5,11-12H2/t16-/m0/s1
InChIKeyNRCJRVMVGCAKDV-INIZCTEOSA-N
MW381.40 g/mol
LogP2.86
Rot. Bonds5

About (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

(4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 11908700) has the molecular formula C18H17F2NO4S and a molecular weight of 381.40 g/mol. Its IUPAC name is (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
PubChem CID11908700
Molecular FormulaC18H17F2NO4S
Molecular Weight381.40 g/mol
Exact Mass381.08
IUPAC Name(4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C18H17F2NO4S/c19-14-9-7-13(8-10-14)12-25-18(22)16-5-3-11-21(16)26(23,24)17-6-2-1-4-15(17)20/h1-2,4,6-10,16H,3,5,11-12H2/t16-/m0/s1
InChIKeyNRCJRVMVGCAKDV-INIZCTEOSA-N
XLogP2.86
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate 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

Benzyl 1-[(4-methylphenyl)sulfonyl]prolinate
CID 2968798
1-Benzenesulfonyl-4-(3-phenyl-acryloyloxy)-pyrrolidine-2-carboxylic acid methyl ester
CID 44569058
4-Benzoyloxy-1-(toluene-4-sulfonyl)-pyrrolidine-2-carboxylicacid methyl ester
CID 44569010
1-Benzenesulfonyl-4-benzoyloxy-pyrrolidine-2-carboxylicacid methyl ester
CID 44569036
Benzyl 2-benzyl-1-(methylsulfonyl)pyrrolidine-2-carboxylate
CID 46884737
(4-Bromophenyl)methyl 1-(4-fluorobenzenesulfonyl)piperidine-2-carboxylate
CID 6624621
methyl (2S,5E)-5-(2-oxo-2-phenylmethoxyethylidene)-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylate
CID 132500518
methyl (2S,3S,5E)-3-methyl-5-(2-oxo-2-phenylmethoxyethylidene)-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylate
CID 132500519
methyl (2S,5E)-3,3-dimethyl-5-(2-oxo-2-phenylmethoxyethylidene)-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylate
CID 132500520
methyl (2S,3S,5E)-3-ethyl-5-(2-oxo-2-phenylmethoxyethylidene)-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylate
CID 132500521
methyl (2S,5E)-3-methyl-5-(2-oxo-2-phenylmethoxyethylidene)-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylate
CID 176425559
methyl (2S,3R,5E)-3-ethyl-5-(2-oxo-2-phenylmethoxyethylidene)-1-(trifluoromethylsulfonyl)pyrrolidine-2-carboxylate
CID 176425560

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate (CID 11908700) is (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate is O=C(OCc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is NRCJRVMVGCAKDV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17F2NO4S/c19-14-9-7-13(8-10-14)12-25-18(22)16-5-3-11-21(16)26(23,24)17-6-2-1-4-15(17)20/h1-2,4,6-10,16H,3,5,11-12H2/t16-/m0/s1.
What are the key properties of (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate?
(4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 381.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 11908700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).