1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one

C27H23NO3S — CID 132509620

IUPAC1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3c2CC(c2ccccc2)CC3=O)cc1
InChIInChI=1S/C27H23NO3S/c1-19-12-14-23(15-13-19)32(30,31)28-18-24(21-10-6-3-7-11-21)27-25(28)16-22(17-26(27)29)20-8-4-2-5-9-20/h2-15,18,22H,16-17H2,1H3
InChIKeyIIVPTZJRPPCGKV-UHFFFAOYSA-N
MW441.55 g/mol
LogP5.61
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one

1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one (PubChem CID 132509620) has the molecular formula C27H23NO3S and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one
PubChem CID132509620
Molecular FormulaC27H23NO3S
Molecular Weight441.55 g/mol
Exact Mass441.14
IUPAC Name1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3c2CC(c2ccccc2)CC3=O)cc1
InChIInChI=1S/C27H23NO3S/c1-19-12-14-23(15-13-19)32(30,31)28-18-24(21-10-6-3-7-11-21)27-25(28)16-22(17-26(27)29)20-8-4-2-5-9-20/h2-15,18,22H,16-17H2,1H3
InChIKeyIIVPTZJRPPCGKV-UHFFFAOYSA-N
XLogP5.61
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-phenyl-4,5,6,7-tetrahydroindole
CID 134950379
2-(4-methylphenyl)sulfonyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 11783164
1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
CID 102402863
8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505822
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
1-benzyl-3-(4-bromophenyl)-2-methyl-6-phenyl-6,7-dihydro-5H-indol-4-one
CID 135012644
4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 146169459
2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
5-bromo-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 141325151
1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
CID 17228188
(3R,3aS)-3-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3,3a,4-tetrahydrocyclopenta[c]pyrrol-5-one
CID 101110390

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one (CID 132509620) is 1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one is Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3c2CC(c2ccccc2)CC3=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is IIVPTZJRPPCGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3S/c1-19-12-14-23(15-13-19)32(30,31)28-18-24(21-10-6-3-7-11-21)27-25(28)16-22(17-26(27)29)20-8-4-2-5-9-20/h2-15,18,22H,16-17H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one?
1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 441.55 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3,6-diphenyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 132509620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).