[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C15H16FN3O3S — CID 168675834

IUPAC[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1nc2ccc(N3CC(CS(=O)(=O)F)CC3=O)cc2nc1C
InChIInChI=1S/C15H16FN3O3S/c1-9-10(2)18-14-6-12(3-4-13(14)17-9)19-7-11(5-15(19)20)8-23(16,21)22/h3-4,6,11H,5,7-8H2,1-2H3
InChIKeyACZYZPXMYUASNX-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.90
Rot. Bonds3

About [1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675834) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is [1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675834
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1nc2ccc(N3CC(CS(=O)(=O)F)CC3=O)cc2nc1C
InChIInChI=1S/C15H16FN3O3S/c1-9-10(2)18-14-6-12(3-4-13(14)17-9)19-7-11(5-15(19)20)8-23(16,21)22/h3-4,6,11H,5,7-8H2,1-2H3
InChIKeyACZYZPXMYUASNX-UHFFFAOYSA-N
XLogP1.90
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
[1-(3H-benzimidazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677060
[1-(1-methylindazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676311
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
[5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677047
(1-isoquinolin-6-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677612
[1-(3-cyano-4-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676002
[1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676978
[5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677572
[1-[3-(difluoromethoxy)-4-methylphenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676012
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
(5-oxo-1-quinolin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677584

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675834) is [1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1nc2ccc(N3CC(CS(=O)(=O)F)CC3=O)cc2nc1C.
What is the InChIKey of [1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is ACZYZPXMYUASNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-9-10(2)18-14-6-12(3-4-13(14)17-9)19-7-11(5-15(19)20)8-23(16,21)22/h3-4,6,11H,5,7-8H2,1-2H3.
What are the key properties of [1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 337.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).