N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide

C19H17FN2O5S — CID 8991326

IUPACN-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1C[C@H](c2ccccc2)C(=O)C1=O)c1cccc(F)c1
InChIInChI=1S/C19H17FN2O5S/c1-28(26,27)22(15-9-5-8-14(20)10-15)12-17(23)21-11-16(18(24)19(21)25)13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3/t16-/m1/s1
InChIKeyCLGVGROKWMUNNN-MRXNPFEDSA-N
MW404.42 g/mol
LogP1.31
Rot. Bonds5

About N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide

N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide (PubChem CID 8991326) has the molecular formula C19H17FN2O5S and a molecular weight of 404.42 g/mol. Its IUPAC name is N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
PubChem CID8991326
Molecular FormulaC19H17FN2O5S
Molecular Weight404.42 g/mol
Exact Mass404.08
IUPAC NameN-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1C[C@H](c2ccccc2)C(=O)C1=O)c1cccc(F)c1
InChIInChI=1S/C19H17FN2O5S/c1-28(26,27)22(15-9-5-8-14(20)10-15)12-17(23)21-11-16(18(24)19(21)25)13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3/t16-/m1/s1
InChIKeyCLGVGROKWMUNNN-MRXNPFEDSA-N
XLogP1.31
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
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N-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 124757176
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N-[3-(azepan-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide (CID 8991326) is N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1C[C@H](c2ccccc2)C(=O)C1=O)c1cccc(F)c1.
What is the InChIKey of N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The InChIKey is CLGVGROKWMUNNN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17FN2O5S/c1-28(26,27)22(15-9-5-8-14(20)10-15)12-17(23)21-11-16(18(24)19(21)25)13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3/t16-/m1/s1.
What are the key properties of N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide has a molecular weight of 404.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4S)-2,3-dioxo-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 8991326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).