5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole

C25H21NO3S — CID 132990624

IUPAC5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole
SMILESCc1ccc(S(=O)(=O)N2Cc3c(-c4ccccc4)oc(-c4ccccc4)c3C2)cc1
InChIInChI=1S/C25H21NO3S/c1-18-12-14-21(15-13-18)30(27,28)26-16-22-23(17-26)25(20-10-6-3-7-11-20)29-24(22)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3
InChIKeyIBYUAQHWVHGAFZ-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.63
Rot. Bonds4

About 5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole

5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole (PubChem CID 132990624) has the molecular formula C25H21NO3S and a molecular weight of 415.51 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole
PubChem CID132990624
Molecular FormulaC25H21NO3S
Molecular Weight415.51 g/mol
Exact Mass415.12
IUPAC Name5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole
SMILESCc1ccc(S(=O)(=O)N2Cc3c(-c4ccccc4)oc(-c4ccccc4)c3C2)cc1
InChIInChI=1S/C25H21NO3S/c1-18-12-14-21(15-13-18)30(27,28)26-16-22-23(17-26)25(20-10-6-3-7-11-20)29-24(22)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3
InChIKeyIBYUAQHWVHGAFZ-UHFFFAOYSA-N
XLogP5.63
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11382924
2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
7,8-dimethyl-2-(4-methylphenyl)sulfonyl-4,5-diphenyl-1,3-dihydrobenzo[e]isoindole
CID 138964199
4-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine
CID 102380568
2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11268113
3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenyl-2,5-dihydropyrrole
CID 135020021
4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3,6,7,8,9-hexahydrobenzo[e]isoindole
CID 10811912
4-bromo-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 15167897
1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
CID 102280475
[3-iodo-5-(4-methylphenyl)sulfonyl-4,6-dihydrofuro[3,4-c]pyrrol-1-yl]-trimethylsilane
CID 122203613
3-(4-methylphenyl)sulfonyl-6-phenyl-2,4-dihydro-1H-benzo[f]isoquinoline
CID 102289711
10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
CID 100934368

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole (CID 132990624) is 5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole is Cc1ccc(S(=O)(=O)N2Cc3c(-c4ccccc4)oc(-c4ccccc4)c3C2)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole?
The InChIKey is IBYUAQHWVHGAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3S/c1-18-12-14-21(15-13-18)30(27,28)26-16-22-23(17-26)25(20-10-6-3-7-11-20)29-24(22)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3.
What are the key properties of 5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole?
5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole has a molecular weight of 415.51 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 132990624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).