1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one

C20H17NO3S — CID 102590771

IUPAC1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one
SMILESO=C1CC(c2ccc3ccccc3c2)N(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H17NO3S/c22-18-13-20(17-11-10-15-6-4-5-7-16(15)12-17)21(14-18)25(23,24)19-8-2-1-3-9-19/h1-12,20H,13-14H2
InChIKeyYNHGHBZHGIZQLL-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.54
Rot. Bonds3

About 1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one

1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one (PubChem CID 102590771) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one
PubChem CID102590771
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one
SMILESO=C1CC(c2ccc3ccccc3c2)N(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H17NO3S/c22-18-13-20(17-11-10-15-6-4-5-7-16(15)12-17)21(14-18)25(23,24)19-8-2-1-3-9-19/h1-12,20H,13-14H2
InChIKeyYNHGHBZHGIZQLL-UHFFFAOYSA-N
XLogP3.54
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 11560493
2-(2-naphthylmethyl)-1,1-dioxo-3H-1$l^{6},2-benzothiazin-4-one
CID 509130
1-[2-(4-Methylphenyl)sulfonyl-1,3-dihydrobenzo[f]isoindol-4-yl]ethanone
CID 89904308
1-[(2S)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 155537003
1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(2-methylphenyl)phenyl]propan-1-one
CID 147702160
1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(4-methylphenyl)phenyl]propan-1-one
CID 149461341
1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-(3H-inden-5-yl)phenyl]propan-1-one
CID 149476292
1-[(2S)-1-(4-fluorophenyl)sulfonyl-2,5-dihydropyrrol-2-yl]-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 149559286
1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 157340212
1-[(2S)-4,4-difluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 157729024
1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 158099200
1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-phenylphenyl)propan-1-one
CID 158366336

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one?
The IUPAC name of 1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one (CID 102590771) is 1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one.
What is the SMILES notation for 1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one?
The canonical SMILES for 1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one is O=C1CC(c2ccc3ccccc3c2)N(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one?
The InChIKey is YNHGHBZHGIZQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c22-18-13-20(17-11-10-15-6-4-5-7-16(15)12-17)21(14-18)25(23,24)19-8-2-1-3-9-19/h1-12,20H,13-14H2.
What are the key properties of 1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one?
1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one has a molecular weight of 351.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-naphthalen-2-ylpyrrolidin-3-one is sourced from PubChem (CID 102590771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).