(2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole

C25H25NO3S2 — CID 11048661

IUPAC(2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole
SMILESCC1=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(C)cc2)N([S@@](=O)c2ccc(C)cc2)C1
InChIInChI=1S/C25H25NO3S2/c1-18-9-13-21(14-10-18)24-25(31(28,29)23-7-5-4-6-8-23)20(3)17-26(24)30(27)22-15-11-19(2)12-16-22/h4-16,24H,17H2,1-3H3/t24-,30+/m1/s1
InChIKeyPDMZHWMYJMRMCA-HLADLETHSA-N
MW451.61 g/mol
LogP5.13
Rot. Bonds5

About (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole

(2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole (PubChem CID 11048661) has the molecular formula C25H25NO3S2 and a molecular weight of 451.61 g/mol. Its IUPAC name is (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole
PubChem CID11048661
Molecular FormulaC25H25NO3S2
Molecular Weight451.61 g/mol
Exact Mass451.13
IUPAC Name(2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole
SMILESCC1=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(C)cc2)N([S@@](=O)c2ccc(C)cc2)C1
InChIInChI=1S/C25H25NO3S2/c1-18-9-13-21(14-10-18)24-25(31(28,29)23-7-5-4-6-8-23)20(3)17-26(24)30(27)22-15-11-19(2)12-16-22/h4-16,24H,17H2,1-3H3/t24-,30+/m1/s1
InChIKeyPDMZHWMYJMRMCA-HLADLETHSA-N
XLogP5.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole?
The IUPAC name of (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole (CID 11048661) is (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole.
What is the SMILES notation for (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole?
The canonical SMILES for (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole is CC1=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(C)cc2)N([S@@](=O)c2ccc(C)cc2)C1.
What is the InChIKey of (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole?
The InChIKey is PDMZHWMYJMRMCA-HLADLETHSA-N. The full InChI is InChI=1S/C25H25NO3S2/c1-18-9-13-21(14-10-18)24-25(31(28,29)23-7-5-4-6-8-23)20(3)17-26(24)30(27)22-15-11-19(2)12-16-22/h4-16,24H,17H2,1-3H3/t24-,30+/m1/s1.
What are the key properties of (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole?
(2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole has a molecular weight of 451.61 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole is sourced from PubChem (CID 11048661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).