3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide

C11H12F2N2O4S — CID 82918776

IUPAC3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
SMILESCN1CCC(Oc2c(F)cc(F)cc2S(N)(=O)=O)C1=O
InChIInChI=1S/C11H12F2N2O4S/c1-15-3-2-8(11(15)16)19-10-7(13)4-6(12)5-9(10)20(14,17)18/h4-5,8H,2-3H2,1H3,(H2,14,17,18)
InChIKeyAVFVNDOQEHHUDU-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.22
Rot. Bonds3

About 3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide

3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide (PubChem CID 82918776) has the molecular formula C11H12F2N2O4S and a molecular weight of 306.29 g/mol. Its IUPAC name is 3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
PubChem CID82918776
Molecular FormulaC11H12F2N2O4S
Molecular Weight306.29 g/mol
Exact Mass306.05
IUPAC Name3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
SMILESCN1CCC(Oc2c(F)cc(F)cc2S(N)(=O)=O)C1=O
InChIInChI=1S/C11H12F2N2O4S/c1-15-3-2-8(11(15)16)19-10-7(13)4-6(12)5-9(10)20(14,17)18/h4-5,8H,2-3H2,1H3,(H2,14,17,18)
InChIKeyAVFVNDOQEHHUDU-UHFFFAOYSA-N
XLogP0.22
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
The IUPAC name of 3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide (CID 82918776) is 3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
The canonical SMILES for 3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide is CN1CCC(Oc2c(F)cc(F)cc2S(N)(=O)=O)C1=O.
What is the InChIKey of 3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
The InChIKey is AVFVNDOQEHHUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O4S/c1-15-3-2-8(11(15)16)19-10-7(13)4-6(12)5-9(10)20(14,17)18/h4-5,8H,2-3H2,1H3,(H2,14,17,18).
What are the key properties of 3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide?
3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide has a molecular weight of 306.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide is sourced from PubChem (CID 82918776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).