4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one

C24H21NO3S — CID 154720313

IUPAC4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one
SMILESCc1ccc(S(=O)(=O)N2Cc3c(C)c4c(c(C)c3C2)-c2ccccc2C4=O)cc1
InChIInChI=1S/C24H21NO3S/c1-14-8-10-17(11-9-14)29(27,28)25-12-20-15(2)22-18-6-4-5-7-19(18)24(26)23(22)16(3)21(20)13-25/h4-11H,12-13H2,1-3H3
InChIKeyXHNXWRRDJRDJRA-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.53
Rot. Bonds2

About 4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one

4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one (PubChem CID 154720313) has the molecular formula C24H21NO3S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one.

Molecular Properties

Compound Name4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one
PubChem CID154720313
Molecular FormulaC24H21NO3S
Molecular Weight403.50 g/mol
Exact Mass403.12
IUPAC Name4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one
SMILESCc1ccc(S(=O)(=O)N2Cc3c(C)c4c(c(C)c3C2)-c2ccccc2C4=O)cc1
InChIInChI=1S/C24H21NO3S/c1-14-8-10-17(11-9-14)29(27,28)25-12-20-15(2)22-18-6-4-5-7-19(18)24(26)23(22)16(3)21(20)13-25/h4-11H,12-13H2,1-3H3
InChIKeyXHNXWRRDJRDJRA-UHFFFAOYSA-N
XLogP4.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one?
The IUPAC name of 4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one (CID 154720313) is 4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one.
What is the SMILES notation for 4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one?
The canonical SMILES for 4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one is Cc1ccc(S(=O)(=O)N2Cc3c(C)c4c(c(C)c3C2)-c2ccccc2C4=O)cc1.
What is the InChIKey of 4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one?
The InChIKey is XHNXWRRDJRDJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3S/c1-14-8-10-17(11-9-14)29(27,28)25-12-20-15(2)22-18-6-4-5-7-19(18)24(26)23(22)16(3)21(20)13-25/h4-11H,12-13H2,1-3H3.
What are the key properties of 4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one?
4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one has a molecular weight of 403.50 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroindeno[1,2-f]isoindol-9-one is sourced from PubChem (CID 154720313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).