4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H10F3NO4S — CID 68760287

IUPAC4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(F)(F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10F3NO4S/c12-7-1-3-8(4-2-7)20(18,19)15-6-11(13,14)5-9(15)10(16)17/h1-4,9H,5-6H2,(H,16,17)
InChIKeyLOGZPADFIXZNTP-UHFFFAOYSA-N
MW309.26 g/mol
LogP1.31
Rot. Bonds3

About 4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid

4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 68760287) has the molecular formula C11H10F3NO4S and a molecular weight of 309.26 g/mol. Its IUPAC name is 4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID68760287
Molecular FormulaC11H10F3NO4S
Molecular Weight309.26 g/mol
Exact Mass309.03
IUPAC Name4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(F)(F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10F3NO4S/c12-7-1-3-8(4-2-7)20(18,19)15-6-11(13,14)5-9(15)10(16)17/h1-4,9H,5-6H2,(H,16,17)
InChIKeyLOGZPADFIXZNTP-UHFFFAOYSA-N
XLogP1.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4,4-difluoro-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 67231647
(2R,4S)-1-(4-fluorophenyl)sulfonyl-4-methylazetidine-2-carboxylic acid
CID 125485640
(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;piperazine-1-carboxamide
CID 22876272
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
(3aS,6aR)-5-(4-fluorophenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid
CID 126506453
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
(3S,4S)-1,4-bis[(4-fluorophenyl)sulfonyl]pyrrolidine-3-carboxylic acid
CID 92570174
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
(6S)-5-(5-fluorothiophen-2-yl)sulfonyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 166290529
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 68760287) is 4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CC(F)(F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is LOGZPADFIXZNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO4S/c12-7-1-3-8(4-2-7)20(18,19)15-6-11(13,14)5-9(15)10(16)17/h1-4,9H,5-6H2,(H,16,17).
What are the key properties of 4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 309.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 68760287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).