methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate

C13H14F2N2O5S — CID 95194746

IUPACmethyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O5S/c1-22-13(19)17-6-2-3-10(17)12(18)16-23(20,21)11-5-4-8(14)7-9(11)15/h4-5,7,10H,2-3,6H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyMFVIKVRBPCJQKV-SNVBAGLBSA-N
MW348.33 g/mol
LogP1.00
Rot. Bonds3

About methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate

methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate (PubChem CID 95194746) has the molecular formula C13H14F2N2O5S and a molecular weight of 348.33 g/mol. Its IUPAC name is methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate
PubChem CID95194746
Molecular FormulaC13H14F2N2O5S
Molecular Weight348.33 g/mol
Exact Mass348.06
IUPAC Namemethyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O5S/c1-22-13(19)17-6-2-3-10(17)12(18)16-23(20,21)11-5-4-8(14)7-9(11)15/h4-5,7,10H,2-3,6H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyMFVIKVRBPCJQKV-SNVBAGLBSA-N
XLogP1.00
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
methyl 7-[(2,4-difluorophenyl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034958
(2S)-N-benzyl-1-[(2S)-2-[(2,4-difluorophenyl)sulfonylamino]-2-phenylacetyl]pyrrolidine-2-carboxamide
CID 53361931
methyl 4-(2,4-difluorophenyl)sulfonylpiperazine-1-carboxylate
CID 110818577
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
tert-butyl (2S)-1-[(2,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 75382009
methyl (2S)-2-[(4-ethylsulfonylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 95322819
methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate
CID 115536165
methyl (2S)-2-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 52522731

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate (CID 95194746) is methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate is COC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is MFVIKVRBPCJQKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14F2N2O5S/c1-22-13(19)17-6-2-3-10(17)12(18)16-23(20,21)11-5-4-8(14)7-9(11)15/h4-5,7,10H,2-3,6H2,1H3,(H,16,18)/t10-/m1/s1.
What are the key properties of methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate?
methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 348.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2,4-difluorophenyl)sulfonylcarbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 95194746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).