1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide

C17H16F2N2O3S — CID 53166765

IUPAC1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide
SMILESO=C1C(NS(=O)(=O)Cc2cc(F)cc(F)c2)CCN1c1ccccc1
InChIInChI=1S/C17H16F2N2O3S/c18-13-8-12(9-14(19)10-13)11-25(23,24)20-16-6-7-21(17(16)22)15-4-2-1-3-5-15/h1-5,8-10,16,20H,6-7,11H2
InChIKeyRDSDSAPPEJLWAZ-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.19
Rot. Bonds5

About 1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide

1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide (PubChem CID 53166765) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide
PubChem CID53166765
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide
SMILESO=C1C(NS(=O)(=O)Cc2cc(F)cc(F)c2)CCN1c1ccccc1
InChIInChI=1S/C17H16F2N2O3S/c18-13-8-12(9-14(19)10-13)11-25(23,24)20-16-6-7-21(17(16)22)15-4-2-1-3-5-15/h1-5,8-10,16,20H,6-7,11H2
InChIKeyRDSDSAPPEJLWAZ-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide (CID 53166765) is 1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide is O=C1C(NS(=O)(=O)Cc2cc(F)cc(F)c2)CCN1c1ccccc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide?
The InChIKey is RDSDSAPPEJLWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-13-8-12(9-14(19)10-13)11-25(23,24)20-16-6-7-21(17(16)22)15-4-2-1-3-5-15/h1-5,8-10,16,20H,6-7,11H2.
What are the key properties of 1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide?
1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide has a molecular weight of 366.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 53166765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).