(2-aminooxysulfonylphenyl) nonanoate

C15H23NO5S — CID 150424183

IUPAC(2-aminooxysulfonylphenyl) nonanoate
SMILESCCCCCCCCC(=O)Oc1ccccc1S(=O)(=O)ON
InChIInChI=1S/C15H23NO5S/c1-2-3-4-5-6-7-12-15(17)20-13-10-8-9-11-14(13)22(18,19)21-16/h8-11H,2-7,12,16H2,1H3
InChIKeyHIKNFZGFMZMHPB-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.92
Rot. Bonds10

About (2-aminooxysulfonylphenyl) nonanoate

(2-aminooxysulfonylphenyl) nonanoate (PubChem CID 150424183) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is (2-aminooxysulfonylphenyl) nonanoate.

Molecular Properties

Compound Name(2-aminooxysulfonylphenyl) nonanoate
PubChem CID150424183
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Name(2-aminooxysulfonylphenyl) nonanoate
SMILESCCCCCCCCC(=O)Oc1ccccc1S(=O)(=O)ON
InChIInChI=1S/C15H23NO5S/c1-2-3-4-5-6-7-12-15(17)20-13-10-8-9-11-14(13)22(18,19)21-16/h8-11H,2-7,12,16H2,1H3
InChIKeyHIKNFZGFMZMHPB-UHFFFAOYSA-N
XLogP2.92
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-nonanoyloxyphenyl) undecanoate
CID 90023956
2-[6-(decanoylamino)hexanoyloxy]benzenesulfonic acid
CID 21226520
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041
(2-heptanoyloxyphenyl) 9,9-dimethyldecanoate
CID 90024679
[2-(2,2-dimethylpropanoyloxy)phenyl] undecanoate
CID 90024650
[2-(4,4-dimethylpentanoyloxy)phenyl] undecanoate
CID 90024625
[2-(2-ethylbutanoyloxy)phenyl] octanoate
CID 90025587
(2-heptanoyloxyphenyl) 5,5-dimethylhexanoate
CID 90025157
(2-undecanoyloxyphenyl) 9,9-dimethyldecanoate
CID 90025358
[2-(2-propyloctanoyloxy)phenyl] undecanoate
CID 90024236

Frequently Asked Questions

What is the IUPAC name of (2-aminooxysulfonylphenyl) nonanoate?
The IUPAC name of (2-aminooxysulfonylphenyl) nonanoate (CID 150424183) is (2-aminooxysulfonylphenyl) nonanoate.
What is the SMILES notation for (2-aminooxysulfonylphenyl) nonanoate?
The canonical SMILES for (2-aminooxysulfonylphenyl) nonanoate is CCCCCCCCC(=O)Oc1ccccc1S(=O)(=O)ON.
What is the InChIKey of (2-aminooxysulfonylphenyl) nonanoate?
The InChIKey is HIKNFZGFMZMHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-2-3-4-5-6-7-12-15(17)20-13-10-8-9-11-14(13)22(18,19)21-16/h8-11H,2-7,12,16H2,1H3.
What are the key properties of (2-aminooxysulfonylphenyl) nonanoate?
(2-aminooxysulfonylphenyl) nonanoate has a molecular weight of 329.42 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminooxysulfonylphenyl) nonanoate is sourced from PubChem (CID 150424183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).