(4-acetyloxy-3-sulfamoylphenyl) acetate

C10H11NO6S — CID 117060873

IUPAC(4-acetyloxy-3-sulfamoylphenyl) acetate
SMILESCC(=O)Oc1ccc(OC(C)=O)c(S(N)(=O)=O)c1
InChIInChI=1S/C10H11NO6S/c1-6(12)16-8-3-4-9(17-7(2)13)10(5-8)18(11,14)15/h3-5H,1-2H3,(H2,11,14,15)
InChIKeyQPCOZKUEEREFKA-UHFFFAOYSA-N
MW273.27 g/mol
LogP0.18
Rot. Bonds3

About (4-acetyloxy-3-sulfamoylphenyl) acetate

(4-acetyloxy-3-sulfamoylphenyl) acetate (PubChem CID 117060873) has the molecular formula C10H11NO6S and a molecular weight of 273.27 g/mol. Its IUPAC name is (4-acetyloxy-3-sulfamoylphenyl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-3-sulfamoylphenyl) acetate
PubChem CID117060873
Molecular FormulaC10H11NO6S
Molecular Weight273.27 g/mol
Exact Mass273.03
IUPAC Name(4-acetyloxy-3-sulfamoylphenyl) acetate
SMILESCC(=O)Oc1ccc(OC(C)=O)c(S(N)(=O)=O)c1
InChIInChI=1S/C10H11NO6S/c1-6(12)16-8-3-4-9(17-7(2)13)10(5-8)18(11,14)15/h3-5H,1-2H3,(H2,11,14,15)
InChIKeyQPCOZKUEEREFKA-UHFFFAOYSA-N
XLogP0.18
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015
[4-[(4-acetyloxy-2-methylsulfonylphenoxy)-chlorophosphanyl]oxy-3-methylsulfonylphenyl] acetate
CID 170380636
(3,4-dimethoxyphenyl) acetate
CID 593001
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
(5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate
CID 57062472
(2-sulfamoyl-1,3-benzothiazol-6-yl) acetate
CID 13236662
[4-[2-[2-acetyloxy-5-[2-[4-acetyloxy-3-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl] acetate
CID 102067968
(2-chlorosulfonyl-4-methylphenyl) acetate
CID 55279906
5-acetyloxy-2-[3-(2-nitrooxyethoxy)propanoyloxy]benzenesulfonic acid
CID 89241532
[4-(4-methoxy-2-methylphenyl)sulfonyl-3-methylphenyl] acetate
CID 89408239
[4-acetyloxy-3-(2-chloroacetyl)phenyl] acetate
CID 24975107

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-3-sulfamoylphenyl) acetate?
The IUPAC name of (4-acetyloxy-3-sulfamoylphenyl) acetate (CID 117060873) is (4-acetyloxy-3-sulfamoylphenyl) acetate.
What is the SMILES notation for (4-acetyloxy-3-sulfamoylphenyl) acetate?
The canonical SMILES for (4-acetyloxy-3-sulfamoylphenyl) acetate is CC(=O)Oc1ccc(OC(C)=O)c(S(N)(=O)=O)c1.
What is the InChIKey of (4-acetyloxy-3-sulfamoylphenyl) acetate?
The InChIKey is QPCOZKUEEREFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6S/c1-6(12)16-8-3-4-9(17-7(2)13)10(5-8)18(11,14)15/h3-5H,1-2H3,(H2,11,14,15).
What are the key properties of (4-acetyloxy-3-sulfamoylphenyl) acetate?
(4-acetyloxy-3-sulfamoylphenyl) acetate has a molecular weight of 273.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-3-sulfamoylphenyl) acetate is sourced from PubChem (CID 117060873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).