(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

C19H21NO3S — CID 110395032

IUPAC(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
SMILESCc1ccc(C(=O)C2CCCN2S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H21NO3S/c1-14-8-10-16(11-9-14)19(21)18-7-4-12-20(18)24(22,23)17-6-3-5-15(2)13-17/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3
InChIKeyKZLJLPXUTYHITE-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.34
Rot. Bonds4

About (4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone (PubChem CID 110395032) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
PubChem CID110395032
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
SMILESCc1ccc(C(=O)C2CCCN2S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H21NO3S/c1-14-8-10-16(11-9-14)19(21)18-7-4-12-20(18)24(22,23)17-6-3-5-15(2)13-17/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3
InChIKeyKZLJLPXUTYHITE-UHFFFAOYSA-N
XLogP3.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,5-dimethylbenzoyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 110607710
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 129367282
[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110395047
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
2-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-ol
CID 79539682
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
CID 110394558
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone (CID 110395032) is (4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone is Cc1ccc(C(=O)C2CCCN2S(=O)(=O)c2cccc(C)c2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The InChIKey is KZLJLPXUTYHITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-14-8-10-16(11-9-14)19(21)18-7-4-12-20(18)24(22,23)17-6-3-5-15(2)13-17/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3.
What are the key properties of (4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone has a molecular weight of 343.45 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 (4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 110395032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).