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

C33H25F2NO2S — CID 154715052

IUPAC(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole
SMILESCc1ccc(S(=O)(=O)N2C(c3ccc(F)cc3)=C(c3ccc(F)cc3)C[C@@H]2c2cccc3ccccc23)cc1
InChIInChI=1S/C33H25F2NO2S/c1-22-9-19-28(20-10-22)39(37,38)36-32(30-8-4-6-23-5-2-3-7-29(23)30)21-31(24-11-15-26(34)16-12-24)33(36)25-13-17-27(35)18-14-25/h2-20,32H,21H2,1H3/t32-/m1/s1
InChIKeyZRAXKUNZILQVGW-JGCGQSQUSA-N
MW537.63 g/mol
LogP8.13
Rot. Bonds5

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

(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole (PubChem CID 154715052) has the molecular formula C33H25F2NO2S and a molecular weight of 537.63 g/mol. Its IUPAC name is (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole
PubChem CID154715052
Molecular FormulaC33H25F2NO2S
Molecular Weight537.63 g/mol
Exact Mass537.16
IUPAC Name(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole
SMILESCc1ccc(S(=O)(=O)N2C(c3ccc(F)cc3)=C(c3ccc(F)cc3)C[C@@H]2c2cccc3ccccc23)cc1
InChIInChI=1S/C33H25F2NO2S/c1-22-9-19-28(20-10-22)39(37,38)36-32(30-8-4-6-23-5-2-3-7-29(23)30)21-31(24-11-15-26(34)16-12-24)33(36)25-13-17-27(35)18-14-25/h2-20,32H,21H2,1H3/t32-/m1/s1
InChIKeyZRAXKUNZILQVGW-JGCGQSQUSA-N
XLogP8.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
CID 45264304
N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 45264321
N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 45265810
(1R)-1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 60166815
N-benzyl-N-[(E)-1-fluoro-2-naphthalen-2-ylethenyl]-4-methylbenzenesulfonamide
CID 101580982
N-benzyl-N-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-4-methylbenzenesulfonamide
CID 122374962
N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide
CID 134904218
5-butyl-9-fluoro-3-(4-methylphenyl)sulfonyl-2-phenyl-10bH-pyrazolo[5,1-a]isoquinoline
CID 135063229
(1S,3R)-3-(fluoromethyl)-2-(4-methylphenyl)sulfonyl-1,3-diphenyl-1H-isoindole
CID 135064653
2-(4-Methylphenyl)sulfonyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzo[e]isoindole
CID 138964194
(R)-4,5-bis(4-fluorophenyl)-2-phenyl-1-tosyl-2,3-dihydro-1H-pyrrole
CID 139187750
1-(4-fluorophenyl)-6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 139247533

Frequently Asked Questions

What is the IUPAC name of (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole?
The IUPAC name of (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole (CID 154715052) is (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole.
What is the SMILES notation for (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole?
The canonical SMILES for (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole is Cc1ccc(S(=O)(=O)N2C(c3ccc(F)cc3)=C(c3ccc(F)cc3)C[C@@H]2c2cccc3ccccc23)cc1.
What is the InChIKey of (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole?
The InChIKey is ZRAXKUNZILQVGW-JGCGQSQUSA-N. The full InChI is InChI=1S/C33H25F2NO2S/c1-22-9-19-28(20-10-22)39(37,38)36-32(30-8-4-6-23-5-2-3-7-29(23)30)21-31(24-11-15-26(34)16-12-24)33(36)25-13-17-27(35)18-14-25/h2-20,32H,21H2,1H3/t32-/m1/s1.
What are the key properties of (2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole?
(2R)-4,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-2,3-dihydropyrrole has a molecular weight of 537.63 g/mol, XLogP of 8.13, 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-naphthalen-1-yl-2,3-dihydropyrrole is sourced from PubChem (CID 154715052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).