1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H9F3N2O3S — CID 168715246

IUPAC1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1ccc(F)c(F)c1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H9F3N2O3S/c11-6-1-2-7(14)10(9(6)12)15-4-5(3-8(15)16)19(13,17)18/h1-2,5H,3-4,14H2
InChIKeyMUGGHJMWMVBPJH-UHFFFAOYSA-N
MW294.25 g/mol
LogP0.95
Rot. Bonds2

About 1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715246) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715246
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1ccc(F)c(F)c1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H9F3N2O3S/c11-6-1-2-7(14)10(9(6)12)15-4-5(3-8(15)16)19(13,17)18/h1-2,5H,3-4,14H2
InChIKeyMUGGHJMWMVBPJH-UHFFFAOYSA-N
XLogP0.95
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 50.95
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-(6-amino-2,3-difluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671334
1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663375
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
6-bromo-3-fluoro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715146
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715381
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715376
1-(6-amino-2,3-difluorophenyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657581
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715645
2-fluoro-5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168715398
1-(2,6-dinitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715280

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715246) is 1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is Nc1ccc(F)c(F)c1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is MUGGHJMWMVBPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c11-6-1-2-7(14)10(9(6)12)15-4-5(3-8(15)16)19(13,17)18/h1-2,5H,3-4,14H2.
What are the key properties of 1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 294.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).