4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one

C14H17NO3S — CID 11033225

IUPAC4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C)C(S(=O)(=O)c2ccc(C)cc2)NC1=O
InChIInChI=1S/C14H17NO3S/c1-4-12-10(3)14(15-13(12)16)19(17,18)11-7-5-9(2)6-8-11/h5-8,14H,4H2,1-3H3,(H,15,16)
InChIKeyTUZDIQLDWRZBLU-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.95
Rot. Bonds3

About 4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one

4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one (PubChem CID 11033225) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one
PubChem CID11033225
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C)C(S(=O)(=O)c2ccc(C)cc2)NC1=O
InChIInChI=1S/C14H17NO3S/c1-4-12-10(3)14(15-13(12)16)19(17,18)11-7-5-9(2)6-8-11/h5-8,14H,4H2,1-3H3,(H,15,16)
InChIKeyTUZDIQLDWRZBLU-UHFFFAOYSA-N
XLogP1.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-2-(4-methylphenyl)sulfonyl-5-oxo-1,2-dihydropyrrol-4-yl]ethyl acetate
CID 15922912
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CID 15922914
(3S)-3-(4-methylphenyl)sulfonyl-2,3-dihydroisoindol-1-one
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(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
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CID 9235680
1,5,5-trimethyl-2-(4-methylphenyl)sulfonylimidazolidine
CID 67120844
(4-methylphenyl)sulfonyloxidanium
CID 5175018
2-(4-methylphenyl)sulfonylpiperidine
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(1R,2S,3S)-1-amino-2-(4-ethylphenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbonitrile
CID 124748209
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
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1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one (CID 11033225) is 4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one is CCC1=C(C)C(S(=O)(=O)c2ccc(C)cc2)NC1=O.
What is the InChIKey of 4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one?
The InChIKey is TUZDIQLDWRZBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-4-12-10(3)14(15-13(12)16)19(17,18)11-7-5-9(2)6-8-11/h5-8,14H,4H2,1-3H3,(H,15,16).
What are the key properties of 4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one?
4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one has a molecular weight of 279.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-2-(4-methylphenyl)sulfonyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 11033225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).