diphenylalumanyl 4-methylbenzenesulfonate

C19H17AlO3S — CID 139725088

IUPACdiphenylalumanyl 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)O[Al](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C7H8O3S.2C6H5.Al/c1-6-2-4-7(5-3-6)11(8,9)10;2*1-2-4-6-5-3-1;/h2-5H,1H3,(H,8,9,10);2*1-5H;/q;;;+1/p-1
InChIKeyWOVZRAUUHDSNFN-UHFFFAOYSA-M
MW352.39 g/mol
LogP2.51
Rot. Bonds5

About diphenylalumanyl 4-methylbenzenesulfonate

diphenylalumanyl 4-methylbenzenesulfonate (PubChem CID 139725088) has the molecular formula C19H17AlO3S and a molecular weight of 352.39 g/mol. Its IUPAC name is diphenylalumanyl 4-methylbenzenesulfonate.

Molecular Properties

Compound Namediphenylalumanyl 4-methylbenzenesulfonate
PubChem CID139725088
Molecular FormulaC19H17AlO3S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Namediphenylalumanyl 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)O[Al](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C7H8O3S.2C6H5.Al/c1-6-2-4-7(5-3-6)11(8,9)10;2*1-2-4-6-5-3-1;/h2-5H,1H3,(H,8,9,10);2*1-5H;/q;;;+1/p-1
InChIKeyWOVZRAUUHDSNFN-UHFFFAOYSA-M
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 172832432
CID 172832432
(4-phenylphenyl)methyl 4-methylbenzenesulfonate
CID 102437017
[4-(benzenesulfonyloxy)cyclohexyl] 4-methylbenzenesulfonate
CID 139842122
(4-methylphenyl)sulfonylmethyl benzenesulfonate
CID 588187
2-diphenylphosphanylethyl 4-methylbenzenesulfonate
CID 174426962
[2-(benzenesulfonyloxymethyl)-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate
CID 71676369
[4-(4-methylphenyl)sulfonyloxy-2,3-diphenylbutyl] 4-methylbenzenesulfonate
CID 13053257
perchloryl 4-methylbenzenesulfonate
CID 87266305
pyridin-1-ium-1-yl 4-methylbenzenesulfonate
CID 14967159
[dimethyl(diphenyl)-λ5-phosphanyl] 4-methylbenzenesulfonate
CID 71368115
methyl 4-methylbenzenesulfonate;phosphane
CID 87524862
methyl 4-methylbenzenesulfonate;hydrofluoride
CID 158630886

Frequently Asked Questions

What is the IUPAC name of diphenylalumanyl 4-methylbenzenesulfonate?
The IUPAC name of diphenylalumanyl 4-methylbenzenesulfonate (CID 139725088) is diphenylalumanyl 4-methylbenzenesulfonate.
What is the SMILES notation for diphenylalumanyl 4-methylbenzenesulfonate?
The canonical SMILES for diphenylalumanyl 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)O[Al](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylalumanyl 4-methylbenzenesulfonate?
The InChIKey is WOVZRAUUHDSNFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O3S.2C6H5.Al/c1-6-2-4-7(5-3-6)11(8,9)10;2*1-2-4-6-5-3-1;/h2-5H,1H3,(H,8,9,10);2*1-5H;/q;;;+1/p-1.
What are the key properties of diphenylalumanyl 4-methylbenzenesulfonate?
diphenylalumanyl 4-methylbenzenesulfonate has a molecular weight of 352.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylalumanyl 4-methylbenzenesulfonate is sourced from PubChem (CID 139725088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).