(4-aminophenyl)sulfonyloxysulfonyl acetate

C8H9NO7S2 — CID 21197310

IUPAC(4-aminophenyl)sulfonyloxysulfonyl acetate
SMILESCC(=O)OS(=O)(=O)OS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C8H9NO7S2/c1-6(10)15-18(13,14)16-17(11,12)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3
InChIKeyWGXVDGGTEDHXFA-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.22
Rot. Bonds4

About (4-aminophenyl)sulfonyloxysulfonyl acetate

(4-aminophenyl)sulfonyloxysulfonyl acetate (PubChem CID 21197310) has the molecular formula C8H9NO7S2 and a molecular weight of 295.29 g/mol. Its IUPAC name is (4-aminophenyl)sulfonyloxysulfonyl acetate.

Molecular Properties

Compound Name(4-aminophenyl)sulfonyloxysulfonyl acetate
PubChem CID21197310
Molecular FormulaC8H9NO7S2
Molecular Weight295.29 g/mol
Exact Mass294.98
IUPAC Name(4-aminophenyl)sulfonyloxysulfonyl acetate
SMILESCC(=O)OS(=O)(=O)OS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C8H9NO7S2/c1-6(10)15-18(13,14)16-17(11,12)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3
InChIKeyWGXVDGGTEDHXFA-UHFFFAOYSA-N
XLogP-0.22
TPSA129.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)sulfonyloxysulfonyl acetate?
The IUPAC name of (4-aminophenyl)sulfonyloxysulfonyl acetate (CID 21197310) is (4-aminophenyl)sulfonyloxysulfonyl acetate.
What is the SMILES notation for (4-aminophenyl)sulfonyloxysulfonyl acetate?
The canonical SMILES for (4-aminophenyl)sulfonyloxysulfonyl acetate is CC(=O)OS(=O)(=O)OS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)sulfonyloxysulfonyl acetate?
The InChIKey is WGXVDGGTEDHXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO7S2/c1-6(10)15-18(13,14)16-17(11,12)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3.
What are the key properties of (4-aminophenyl)sulfonyloxysulfonyl acetate?
(4-aminophenyl)sulfonyloxysulfonyl acetate has a molecular weight of 295.29 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)sulfonyloxysulfonyl acetate is sourced from PubChem (CID 21197310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).