[1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H12F2N2O3S — CID 168677212

IUPAC[1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESNc1ccc(F)cc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H12F2N2O3S/c12-8-1-2-9(14)10(4-8)15-5-7(3-11(15)16)6-19(13,17)18/h1-2,4,7H,3,5-6,14H2
InChIKeyLRRNATGJSKICSD-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.06
Rot. Bonds3

About [1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677212) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is [1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677212
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name[1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESNc1ccc(F)cc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H12F2N2O3S/c12-8-1-2-9(14)10(4-8)15-5-7(3-11(15)16)6-19(13,17)18/h1-2,4,7H,3,5-6,14H2
InChIKeyLRRNATGJSKICSD-UHFFFAOYSA-N
XLogP1.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682427
[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677261
[1-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673991
[1-(2,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677197
[1-(2-amino-5-bromo-3-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677483
[1-(2-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682696
[1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680983
[1-(4,5-diamino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677754
3-amino-5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-methylbenzoic acid
CID 168675866
[1-(2-bromo-3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676722
[1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676926
[1-(2-fluoro-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675660

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677212) is [1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Nc1ccc(F)cc1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is LRRNATGJSKICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c12-8-1-2-9(14)10(4-8)15-5-7(3-11(15)16)6-19(13,17)18/h1-2,4,7H,3,5-6,14H2.
What are the key properties of [1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 290.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).