2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid

C12H11ClFNO5S — CID 168713285

IUPAC2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C12H11ClFNO5S/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)
InChIKeyMRMZOIDPQHVZJG-UHFFFAOYSA-N
MW335.74 g/mol
LogP1.37
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid

2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid (PubChem CID 168713285) has the molecular formula C12H11ClFNO5S and a molecular weight of 335.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
PubChem CID168713285
Molecular FormulaC12H11ClFNO5S
Molecular Weight335.74 g/mol
Exact Mass335.00
IUPAC Name2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C12H11ClFNO5S/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)
InChIKeyMRMZOIDPQHVZJG-UHFFFAOYSA-N
XLogP1.37
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247
3-(4-chlorophenyl)-3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713303
2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
CID 168701618
3-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713336
2-(3-bromophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713291
2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716614
2-(2,3-difluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713294
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602
1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714742
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713150
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
CID 168713395
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid (CID 168713285) is 2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid is O=C(O)C(c1ccc(Cl)cc1)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
The InChIKey is MRMZOIDPQHVZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO5S/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).
What are the key properties of 2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid?
2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid has a molecular weight of 335.74 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 168713285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).