bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone

C24H25O6PS2 — CID 149399389

IUPACbis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25O6PS2/c1-16-6-10-21(11-7-16)32(27,28)31(26,33(29,30)22-12-8-17(2)9-13-22)24(25)23-19(4)14-18(3)15-20(23)5/h6-15H,1-5H3
InChIKeyYPBXROQIOUHBFU-UHFFFAOYSA-N
MW504.57 g/mol
LogP5.51
Rot. Bonds6

About bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone

bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone (PubChem CID 149399389) has the molecular formula C24H25O6PS2 and a molecular weight of 504.57 g/mol. Its IUPAC name is bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Namebis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone
PubChem CID149399389
Molecular FormulaC24H25O6PS2
Molecular Weight504.57 g/mol
Exact Mass504.08
IUPAC Namebis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25O6PS2/c1-16-6-10-21(11-7-16)32(27,28)31(26,33(29,30)22-12-8-17(2)9-13-22)24(25)23-19(4)14-18(3)15-20(23)5/h6-15H,1-5H3
InChIKeyYPBXROQIOUHBFU-UHFFFAOYSA-N
XLogP5.51
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 90240714
lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid
CID 175208689
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
4-methylbenzenesulfonic acid
CID 157221593
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983511
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042
λ2-stannane;4-methylbenzenesulfonic acid
CID 173313269
CID 6371597
CID 6371597
[(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 125497314

Frequently Asked Questions

What is the IUPAC name of bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone (CID 149399389) is bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone is Cc1ccc(S(=O)(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is YPBXROQIOUHBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O6PS2/c1-16-6-10-21(11-7-16)32(27,28)31(26,33(29,30)22-12-8-17(2)9-13-22)24(25)23-19(4)14-18(3)15-20(23)5/h6-15H,1-5H3.
What are the key properties of bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone?
bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 504.57 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 149399389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).