perchloryl 4-methylbenzenesulfonate

C7H7ClO6S — CID 87266305

IUPACperchloryl 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)O[Cl+3]([O-])([O-])[O-])cc1
InChIInChI=1S/C7H7ClO6S/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3
InChIKeyOIDNSVRVHYBLBR-UHFFFAOYSA-N
MW254.65 g/mol
LogP-2.40
Rot. Bonds3

About perchloryl 4-methylbenzenesulfonate

perchloryl 4-methylbenzenesulfonate (PubChem CID 87266305) has the molecular formula C7H7ClO6S and a molecular weight of 254.65 g/mol. Its IUPAC name is perchloryl 4-methylbenzenesulfonate.

Molecular Properties

Compound Nameperchloryl 4-methylbenzenesulfonate
PubChem CID87266305
Molecular FormulaC7H7ClO6S
Molecular Weight254.65 g/mol
Exact Mass253.97
IUPAC Nameperchloryl 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)O[Cl+3]([O-])([O-])[O-])cc1
InChIInChI=1S/C7H7ClO6S/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3
InChIKeyOIDNSVRVHYBLBR-UHFFFAOYSA-N
XLogP-2.40
TPSA112.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methylbenzenesulfonate;hydrofluoride
CID 158630886
methyl 4-methylbenzenesulfonate;phosphane
CID 87524862
amino 4-methylbenzenesulfonate
CID 10965249
methyl 4-methylbenzenesulfonate;zinc
CID 174756808
methanidyl 4-methylbenzenesulfonate;rutherfordium
CID 169042179
bis-(4-methylphenyl)sulfonyloxystibanyl 4-methylbenzenesulfonate
CID 16703717
(4-methylphenyl)sulfonyl sulfate
CID 23103740
bis-(4-methylphenyl)sulfonyloxybismuthanyl 4-methylbenzenesulfonate
CID 140663364
CID 172832432
CID 172832432
deuteriomethyl 4-methylbenzenesulfonate
CID 129134824
1-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
CID 54380954
silyloxy 4-methylbenzenesulfonate
CID 131716836

Frequently Asked Questions

What is the IUPAC name of perchloryl 4-methylbenzenesulfonate?
The IUPAC name of perchloryl 4-methylbenzenesulfonate (CID 87266305) is perchloryl 4-methylbenzenesulfonate.
What is the SMILES notation for perchloryl 4-methylbenzenesulfonate?
The canonical SMILES for perchloryl 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)O[Cl+3]([O-])([O-])[O-])cc1.
What is the InChIKey of perchloryl 4-methylbenzenesulfonate?
The InChIKey is OIDNSVRVHYBLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO6S/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3.
What are the key properties of perchloryl 4-methylbenzenesulfonate?
perchloryl 4-methylbenzenesulfonate has a molecular weight of 254.65 g/mol, XLogP of -2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for perchloryl 4-methylbenzenesulfonate is sourced from PubChem (CID 87266305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).