1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one

C17H17NO3S — CID 86002564

IUPAC1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCC(=O)C2c2ccccc2)cc1
InChIInChI=1S/C17H17NO3S/c1-13-7-9-15(10-8-13)22(20,21)18-12-11-16(19)17(18)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyZCZNGJSIJNSGTD-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.70
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one

1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one (PubChem CID 86002564) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
PubChem CID86002564
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCC(=O)C2c2ccccc2)cc1
InChIInChI=1S/C17H17NO3S/c1-13-7-9-15(10-8-13)22(20,21)18-12-11-16(19)17(18)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyZCZNGJSIJNSGTD-UHFFFAOYSA-N
XLogP2.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one
CID 90424128
1,4-bis-(4-methylphenyl)sulfonyl-2-phenyl-3-propan-2-ylidenepiperazine
CID 134851505
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(1R)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 138972942
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
5-methyl-1-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 139247527
1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one
CID 102530463
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
CID 46707965
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one (CID 86002564) is 1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one is Cc1ccc(S(=O)(=O)N2CCC(=O)C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one?
The InChIKey is ZCZNGJSIJNSGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-13-7-9-15(10-8-13)22(20,21)18-12-11-16(19)17(18)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one?
1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one has a molecular weight of 315.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one is sourced from PubChem (CID 86002564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).