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

C23H20FNO2S — CID 101493504

IUPAC5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)C=C2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FNO2S/c1-17-7-13-22(14-8-17)28(26,27)25-16-20(18-5-3-2-4-6-18)15-23(25)19-9-11-21(24)12-10-19/h2-15,20H,16H2,1H3
InChIKeyIZDTWQDORJMTHP-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.96
Rot. Bonds4

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

5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole (PubChem CID 101493504) has the molecular formula C23H20FNO2S and a molecular weight of 393.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
PubChem CID101493504
Molecular FormulaC23H20FNO2S
Molecular Weight393.48 g/mol
Exact Mass393.12
IUPAC Name5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)C=C2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FNO2S/c1-17-7-13-22(14-8-17)28(26,27)25-16-20(18-5-3-2-4-6-18)15-23(25)19-9-11-21(24)12-10-19/h2-15,20H,16H2,1H3
InChIKeyIZDTWQDORJMTHP-UHFFFAOYSA-N
XLogP4.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole
CID 101493505
5,7-bis(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroazepine
CID 102359915
(3S)-7-(3-bromophenyl)-1-(4-methylphenyl)sulfonyl-3,5-diphenyl-2,3-dihydroazepine
CID 155934500
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine
CID 70871242
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one
CID 155907206
4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydro-1,4-benzoxazine
CID 86212473
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
1-[(3R,4S)-1-(benzenesulfonyl)-4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-2H-pyridin-3-yl]ethanone
CID 102598073

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole?
The IUPAC name of 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole (CID 101493504) is 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole?
The canonical SMILES for 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)C=C2c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole?
The InChIKey is IZDTWQDORJMTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2S/c1-17-7-13-22(14-8-17)28(26,27)25-16-20(18-5-3-2-4-6-18)15-23(25)19-9-11-21(24)12-10-19/h2-15,20H,16H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole?
5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole has a molecular weight of 393.48 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole is sourced from PubChem (CID 101493504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).