1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one

C27H21NO3S — CID 11419286

IUPAC1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C27H21NO3S/c1-20-16-18-23(19-17-20)32(30,31)28-25-15-9-8-14-24(25)27(26(28)29,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19H,1H3
InChIKeyFXWOMJWHQPKJAE-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.06
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one

1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one (PubChem CID 11419286) has the molecular formula C27H21NO3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one
PubChem CID11419286
Molecular FormulaC27H21NO3S
Molecular Weight439.54 g/mol
Exact Mass439.12
IUPAC Name1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C27H21NO3S/c1-20-16-18-23(19-17-20)32(30,31)28-25-15-9-8-14-24(25)27(26(28)29,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19H,1H3
InChIKeyFXWOMJWHQPKJAE-UHFFFAOYSA-N
XLogP5.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one (CID 11419286) is 1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one is Cc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one?
The InChIKey is FXWOMJWHQPKJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO3S/c1-20-16-18-23(19-17-20)32(30,31)28-25-15-9-8-14-24(25)27(26(28)29,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one?
1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one has a molecular weight of 439.54 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3,3-diphenylindol-2-one is sourced from PubChem (CID 11419286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).