(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole

C20H23NO2S — CID 12023220

IUPAC(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole
SMILESCc1ccc(S(=O)(=O)N2C=C(C(C)C)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C20H23NO2S/c1-15(2)18-13-20(17-7-5-4-6-8-17)21(14-18)24(22,23)19-11-9-16(3)10-12-19/h4-12,14-15,20H,13H2,1-3H3/t20-/m1/s1
InChIKeyFGUWAYYEXGEPDL-HXUWFJFHSA-N
MW341.48 g/mol
LogP4.67
Rot. Bonds4

About (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole

(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole (PubChem CID 12023220) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole
PubChem CID12023220
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole
SMILESCc1ccc(S(=O)(=O)N2C=C(C(C)C)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C20H23NO2S/c1-15(2)18-13-20(17-7-5-4-6-8-17)21(14-18)24(22,23)19-11-9-16(3)10-12-19/h4-12,14-15,20H,13H2,1-3H3/t20-/m1/s1
InChIKeyFGUWAYYEXGEPDL-HXUWFJFHSA-N
XLogP4.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
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CID 16731480
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CID 134953438
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
CID 122228868
(2S,5R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidine
CID 162399176
[(3S,5S)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-3-yl]-tri(propan-2-yl)silane
CID 11167017
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine
CID 86224665
(1R,3R)-1-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinoline
CID 15425714
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-yl]methanol
CID 11336503
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469231

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole?
The IUPAC name of (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole (CID 12023220) is (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole.
What is the SMILES notation for (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole?
The canonical SMILES for (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole is Cc1ccc(S(=O)(=O)N2C=C(C(C)C)C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole?
The InChIKey is FGUWAYYEXGEPDL-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15(2)18-13-20(17-7-5-4-6-8-17)21(14-18)24(22,23)19-11-9-16(3)10-12-19/h4-12,14-15,20H,13H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole?
(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole has a molecular weight of 341.48 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole is sourced from PubChem (CID 12023220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).