(1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene

C28H24O2S — CID 134982597

IUPAC(1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene
SMILESCc1ccc(S(=O)(=O)[C@H]2c3ccccc3[C@@H](c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C28H24O2S/c1-20-16-18-23(19-17-20)31(29,30)28-25-15-9-8-14-24(25)26(21-10-4-2-5-11-21)27(28)22-12-6-3-7-13-22/h2-19,26-28H,1H3/t26-,27+,28+/m1/s1
InChIKeyGMLFPXVOQCOWMV-PKTNWEFCSA-N
MW424.57 g/mol
LogP6.44
Rot. Bonds4

About (1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene

(1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene (PubChem CID 134982597) has the molecular formula C28H24O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is (1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene
PubChem CID134982597
Molecular FormulaC28H24O2S
Molecular Weight424.57 g/mol
Exact Mass424.15
IUPAC Name(1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene
SMILESCc1ccc(S(=O)(=O)[C@H]2c3ccccc3[C@@H](c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C28H24O2S/c1-20-16-18-23(19-17-20)31(29,30)28-25-15-9-8-14-24(25)26(21-10-4-2-5-11-21)27(28)22-12-6-3-7-13-22/h2-19,26-28H,1H3/t26-,27+,28+/m1/s1
InChIKeyGMLFPXVOQCOWMV-PKTNWEFCSA-N
XLogP6.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631
(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
(4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine
CID 157385773
(2R,3R)-2-(benzenesulfonyl)-3-(4-methylphenyl)oxirane
CID 135001050
4-methyl-N-(7-methyl-2-nitro-3-phenyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 142755239
3-(4-methylphenyl)sulfonyl-3H-2-benzofuran-1-one
CID 14761833
[(15S,16S)-16-[(4-methylphenyl)sulfonyloxymethyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl 4-methylbenzenesulfonate
CID 12556923
1-amino-2-(4-methylphenyl)sulfonyl-3-phenylcyclopropane-1-carboxylic acid
CID 102569182
(3S)-3-(4-methylphenyl)sulfonyl-2,3-dihydroisoindol-1-one
CID 102207547
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 124858189
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 124858397
2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940992

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene?
The IUPAC name of (1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene (CID 134982597) is (1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene is Cc1ccc(S(=O)(=O)[C@H]2c3ccccc3[C@@H](c3ccccc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene?
The InChIKey is GMLFPXVOQCOWMV-PKTNWEFCSA-N. The full InChI is InChI=1S/C28H24O2S/c1-20-16-18-23(19-17-20)31(29,30)28-25-15-9-8-14-24(25)26(21-10-4-2-5-11-21)27(28)22-12-6-3-7-13-22/h2-19,26-28H,1H3/t26-,27+,28+/m1/s1.
What are the key properties of (1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene?
(1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene has a molecular weight of 424.57 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 134982597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).