[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene

C30H30O2S — CID 175219227

IUPAC[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene
SMILESO=S(=O)(C(Cc1ccccc1)Cc1ccccc1)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H30O2S/c31-33(32,29(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)30(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20,29-30H,21-24H2
InChIKeyBRMZAMVMTCJPDH-UHFFFAOYSA-N
MW454.64 g/mol
LogP6.11
Rot. Bonds10

About [2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene

[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene (PubChem CID 175219227) has the molecular formula C30H30O2S and a molecular weight of 454.64 g/mol. Its IUPAC name is [2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene.

Molecular Properties

Compound Name[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene
PubChem CID175219227
Molecular FormulaC30H30O2S
Molecular Weight454.64 g/mol
Exact Mass454.20
IUPAC Name[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene
SMILESO=S(=O)(C(Cc1ccccc1)Cc1ccccc1)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H30O2S/c31-33(32,29(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)30(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20,29-30H,21-24H2
InChIKeyBRMZAMVMTCJPDH-UHFFFAOYSA-N
XLogP6.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenylpropane-2-sulfonamide
CID 62084735
(2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol
CID 102426580
1-bromo-2-phenylethanesulfonyl chloride
CID 87756862
2-tert-butylsulfonylhexylbenzene
CID 10924028
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
2-hydroxy-3-phenylpropane-1-sulfonic acid
CID 115029572
(1S)-1,2-diphenylethanesulfonamide
CID 15655609
(2S)-3-phenyl-2-sulfanylpropanoic acid
CID 10154332
(1S)-1-chloro-2-phenylethanethiol
CID 124584825
(2R)-2-methylsulfonyl-3-phenylpropanoic acid
CID 93311954
3-phenyl-2-sulfamoylpropanoic acid
CID 70062822
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene?
The IUPAC name of [2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene (CID 175219227) is [2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene.
What is the SMILES notation for [2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene?
The canonical SMILES for [2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene is O=S(=O)(C(Cc1ccccc1)Cc1ccccc1)C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene?
The InChIKey is BRMZAMVMTCJPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2S/c31-33(32,29(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)30(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20,29-30H,21-24H2.
What are the key properties of [2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene?
[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene has a molecular weight of 454.64 g/mol, XLogP of 6.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene is sourced from PubChem (CID 175219227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).