1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide

C19H20F2N2O3S — CID 95101521

IUPAC1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cc(C)cc(N2CC[C@H](NS(=O)(=O)Cc3cc(F)cc(F)c3)C2=O)c1
InChIInChI=1S/C19H20F2N2O3S/c1-12-5-13(2)7-17(6-12)23-4-3-18(19(23)24)22-27(25,26)11-14-8-15(20)10-16(21)9-14/h5-10,18,22H,3-4,11H2,1-2H3/t18-/m0/s1
InChIKeyIUOOOTHLKNUUCQ-SFHVURJKSA-N
MW394.44 g/mol
LogP2.81
Rot. Bonds5

About 1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 95101521) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID95101521
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Name1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cc(C)cc(N2CC[C@H](NS(=O)(=O)Cc3cc(F)cc(F)c3)C2=O)c1
InChIInChI=1S/C19H20F2N2O3S/c1-12-5-13(2)7-17(6-12)23-4-3-18(19(23)24)22-27(25,26)11-14-8-15(20)10-16(21)9-14/h5-10,18,22H,3-4,11H2,1-2H3/t18-/m0/s1
InChIKeyIUOOOTHLKNUUCQ-SFHVURJKSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.81
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-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide (CID 95101521) is 1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide is Cc1cc(C)cc(N2CC[C@H](NS(=O)(=O)Cc3cc(F)cc(F)c3)C2=O)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IUOOOTHLKNUUCQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-12-5-13(2)7-17(6-12)23-4-3-18(19(23)24)22-27(25,26)11-14-8-15(20)10-16(21)9-14/h5-10,18,22H,3-4,11H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 394.44 g/mol, XLogP of 2.81, 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-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 95101521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).