(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole

C29H23F2NO2S — CID 139187750

IUPAC(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole
SMILESCc1ccc(S(=O)(=O)N2C(c3ccc(F)cc3)=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C29H23F2NO2S/c1-20-7-17-26(18-8-20)35(33,34)32-28(22-5-3-2-4-6-22)19-27(21-9-13-24(30)14-10-21)29(32)23-11-15-25(31)16-12-23/h2-18,28H,19H2,1H3/t28-/m1/s1
InChIKeyYPQPBYUGSJRAKF-MUUNZHRXSA-N
MW487.57 g/mol
LogP6.98
Rot. Bonds5

About (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole

(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole (PubChem CID 139187750) has the molecular formula C29H23F2NO2S and a molecular weight of 487.57 g/mol. Its IUPAC name is (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole
PubChem CID139187750
Molecular FormulaC29H23F2NO2S
Molecular Weight487.57 g/mol
Exact Mass487.14
IUPAC Name(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole
SMILESCc1ccc(S(=O)(=O)N2C(c3ccc(F)cc3)=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C29H23F2NO2S/c1-20-7-17-26(18-8-20)35(33,34)32-28(22-5-3-2-4-6-22)19-27(21-9-13-24(30)14-10-21)29(32)23-11-15-25(31)16-12-23/h2-18,28H,19H2,1H3/t28-/m1/s1
InChIKeyYPQPBYUGSJRAKF-MUUNZHRXSA-N
XLogP6.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole?
The IUPAC name of (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole (CID 139187750) is (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole.
What is the SMILES notation for (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole?
The canonical SMILES for (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole is Cc1ccc(S(=O)(=O)N2C(c3ccc(F)cc3)=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole?
The InChIKey is YPQPBYUGSJRAKF-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H23F2NO2S/c1-20-7-17-26(18-8-20)35(33,34)32-28(22-5-3-2-4-6-22)19-27(21-9-13-24(30)14-10-21)29(32)23-11-15-25(31)16-12-23/h2-18,28H,19H2,1H3/t28-/m1/s1.
What are the key properties of (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole?
(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole has a molecular weight of 487.57 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrrole is sourced from PubChem (CID 139187750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).