N-hydroxy-2-phenoxysulfonylbenzeneamine oxide

C12H11NO5S — CID 21117296

IUPACN-hydroxy-2-phenoxysulfonylbenzeneamine oxide
SMILESO=S(=O)(Oc1ccccc1)c1ccccc1[NH+]([O-])O
InChIInChI=1S/C12H11NO5S/c14-13(15)11-8-4-5-9-12(11)19(16,17)18-10-6-2-1-3-7-10/h1-9,13-14H
InChIKeyLPWXLHJXHQMEKJ-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.86
Rot. Bonds4

About N-hydroxy-2-phenoxysulfonylbenzeneamine oxide

N-hydroxy-2-phenoxysulfonylbenzeneamine oxide (PubChem CID 21117296) has the molecular formula C12H11NO5S and a molecular weight of 281.29 g/mol. Its IUPAC name is N-hydroxy-2-phenoxysulfonylbenzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-2-phenoxysulfonylbenzeneamine oxide
PubChem CID21117296
Molecular FormulaC12H11NO5S
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC NameN-hydroxy-2-phenoxysulfonylbenzeneamine oxide
SMILESO=S(=O)(Oc1ccccc1)c1ccccc1[NH+]([O-])O
InChIInChI=1S/C12H11NO5S/c14-13(15)11-8-4-5-9-12(11)19(16,17)18-10-6-2-1-3-7-10/h1-9,13-14H
InChIKeyLPWXLHJXHQMEKJ-UHFFFAOYSA-N
XLogP0.86
TPSA91.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-(4-methylphenyl)sulfonylbenzeneamine oxide
CID 21141410
2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide
CID 21141365
phenyl 2-(4-tert-butylphenyl)benzenesulfonate
CID 162180736
diphenyl 4-methylbenzene-1,3-disulfonate
CID 163451445
phenyl 2,3-diethylbenzenesulfonate
CID 154521454
phenyl 1-hydroxynaphthalene-2-sulfonate
CID 56636181
phenyl 2-butylbenzenesulfonate
CID 140976064
sodium phenyl sulfate
CID 23678346
4-naphthalen-1-ylsulfonyloxybenzenesulfonic acid
CID 142649275
phenyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 598567
sodium;chlorosulfonyloxybenzene;hydride
CID 174571400
tert-butyl phenyl sulfate
CID 87155545

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-phenoxysulfonylbenzeneamine oxide?
The IUPAC name of N-hydroxy-2-phenoxysulfonylbenzeneamine oxide (CID 21117296) is N-hydroxy-2-phenoxysulfonylbenzeneamine oxide.
What is the SMILES notation for N-hydroxy-2-phenoxysulfonylbenzeneamine oxide?
The canonical SMILES for N-hydroxy-2-phenoxysulfonylbenzeneamine oxide is O=S(=O)(Oc1ccccc1)c1ccccc1[NH+]([O-])O.
What is the InChIKey of N-hydroxy-2-phenoxysulfonylbenzeneamine oxide?
The InChIKey is LPWXLHJXHQMEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S/c14-13(15)11-8-4-5-9-12(11)19(16,17)18-10-6-2-1-3-7-10/h1-9,13-14H.
What are the key properties of N-hydroxy-2-phenoxysulfonylbenzeneamine oxide?
N-hydroxy-2-phenoxysulfonylbenzeneamine oxide has a molecular weight of 281.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenoxysulfonylbenzeneamine oxide is sourced from PubChem (CID 21117296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).