diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane

C21H21O2PS — CID 11003128

IUPACdiphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane
SMILESCc1cc(C)c(S(=O)(=O)P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C21H21O2PS/c1-16-14-17(2)21(18(3)15-16)25(22,23)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyMGHNQOFXIOYIRY-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.43
Rot. Bonds4

About diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane

diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane (PubChem CID 11003128) has the molecular formula C21H21O2PS and a molecular weight of 368.44 g/mol. Its IUPAC name is diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane.

Molecular Properties

Compound Namediphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane
PubChem CID11003128
Molecular FormulaC21H21O2PS
Molecular Weight368.44 g/mol
Exact Mass368.10
IUPAC Namediphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane
SMILESCc1cc(C)c(S(=O)(=O)P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C21H21O2PS/c1-16-14-17(2)21(18(3)15-16)25(22,23)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyMGHNQOFXIOYIRY-UHFFFAOYSA-N
XLogP4.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonylmethylsulfonyl)-1,3,5-trimethylbenzene
CID 139788361
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole
CID 13349625
1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
CID 5134322
2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681294
4-methyl-N-[oxo-phenyl-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 15890169
(2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine
CID 1036909
2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide
CID 86180003
diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane
CID 177438065

Frequently Asked Questions

What is the IUPAC name of diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane?
The IUPAC name of diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane (CID 11003128) is diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane.
What is the SMILES notation for diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane?
The canonical SMILES for diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane is Cc1cc(C)c(S(=O)(=O)P(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane?
The InChIKey is MGHNQOFXIOYIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2PS/c1-16-14-17(2)21(18(3)15-16)25(22,23)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3.
What are the key properties of diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane?
diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane has a molecular weight of 368.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane is sourced from PubChem (CID 11003128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).