2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid

C12H13FN2O5S — CID 168716614

IUPAC2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
SMILESNS(=O)(=O)C1CC(=O)N(C(C(=O)O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H13FN2O5S/c13-8-3-1-7(2-4-8)11(12(17)18)15-6-9(5-10(15)16)21(14,19)20/h1-4,9,11H,5-6H2,(H,17,18)(H2,14,19,20)
InChIKeyJYWAWWRLDZHTMN-UHFFFAOYSA-N
MW316.31 g/mol
LogP-0.16
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid

2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid (PubChem CID 168716614) has the molecular formula C12H13FN2O5S and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
PubChem CID168716614
Molecular FormulaC12H13FN2O5S
Molecular Weight316.31 g/mol
Exact Mass316.05
IUPAC Name2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
SMILESNS(=O)(=O)C1CC(=O)N(C(C(=O)O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H13FN2O5S/c13-8-3-1-7(2-4-8)11(12(17)18)15-6-9(5-10(15)16)21(14,19)20/h1-4,9,11H,5-6H2,(H,17,18)(H2,14,19,20)
InChIKeyJYWAWWRLDZHTMN-UHFFFAOYSA-N
XLogP-0.16
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602
2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713285
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247
1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070
(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716442
3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716351
2-(3-bromophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713291
2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716627
3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716634
2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713294
(2S)-3-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716607

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid (CID 168716614) is 2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid is NS(=O)(=O)C1CC(=O)N(C(C(=O)O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
The InChIKey is JYWAWWRLDZHTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O5S/c13-8-3-1-7(2-4-8)11(12(17)18)15-6-9(5-10(15)16)21(14,19)20/h1-4,9,11H,5-6H2,(H,17,18)(H2,14,19,20).
What are the key properties of 2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid has a molecular weight of 316.31 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 168716614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).