1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one

C20H22N2O3S — CID 51320556

IUPAC1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCCC2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3S/c23-20-9-5-14-21(20)17-10-12-18(13-11-17)26(24,25)22-15-4-8-19(22)16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2
InChIKeyMFNMSHRLPMDYKS-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.34
Rot. Bonds4

About 1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one

1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one (PubChem CID 51320556) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
PubChem CID51320556
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCCC2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3S/c23-20-9-5-14-21(20)17-10-12-18(13-11-17)26(24,25)22-15-4-8-19(22)16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2
InChIKeyMFNMSHRLPMDYKS-UHFFFAOYSA-N
XLogP3.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 40987447
1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 17175034
4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one
CID 110419970
1-[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 40987453
1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 119969465
1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one;hydrochloride
CID 120767021
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one
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1-(4-bromo-3-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 138991943
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one
CID 41142720

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one (CID 51320556) is 1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(S(=O)(=O)N2CCCC2c2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is MFNMSHRLPMDYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20-9-5-14-21(20)17-10-12-18(13-11-17)26(24,25)22-15-4-8-19(22)16-6-2-1-3-7-16/h1-3,6-7,10-13,19H,4-5,8-9,14-15H2.
What are the key properties of 1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 370.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 51320556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).