2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one

C26H21NO3S — CID 166447950

IUPAC2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CC3=C(c4ccccc4)C(=O)C(c4ccccc4)=C3C2)cc1
InChIInChI=1S/C26H21NO3S/c1-18-12-14-21(15-13-18)31(29,30)27-16-22-23(17-27)25(20-10-6-3-7-11-20)26(28)24(22)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3
InChIKeyHDVFOEOIRDOKEH-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one

2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one (PubChem CID 166447950) has the molecular formula C26H21NO3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one
PubChem CID166447950
Molecular FormulaC26H21NO3S
Molecular Weight427.53 g/mol
Exact Mass427.12
IUPAC Name2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one
SMILESCc1ccc(S(=O)(=O)N2CC3=C(c4ccccc4)C(=O)C(c4ccccc4)=C3C2)cc1
InChIInChI=1S/C26H21NO3S/c1-18-12-14-21(15-13-18)31(29,30)27-16-22-23(17-27)25(20-10-6-3-7-11-20)26(28)24(22)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3
InChIKeyHDVFOEOIRDOKEH-UHFFFAOYSA-N
XLogP4.49
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one (CID 166447950) is 2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one is Cc1ccc(S(=O)(=O)N2CC3=C(c4ccccc4)C(=O)C(c4ccccc4)=C3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one?
The InChIKey is HDVFOEOIRDOKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3S/c1-18-12-14-21(15-13-18)31(29,30)27-16-22-23(17-27)25(20-10-6-3-7-11-20)26(28)24(22)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one?
2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one has a molecular weight of 427.53 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-4,6-diphenyl-1,3-dihydrocyclopenta[c]pyrrol-5-one is sourced from PubChem (CID 166447950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).