2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide

C14H14N2O6S — CID 21141365

IUPAC2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide
SMILESO=C(O)CNc1ccccc1S(=O)(=O)c1ccccc1[NH+]([O-])O
InChIInChI=1S/C14H14N2O6S/c17-14(18)9-15-10-5-1-3-7-12(10)23(21,22)13-8-4-2-6-11(13)16(19)20/h1-8,15-16,19H,9H2,(H,17,18)
InChIKeyBEZXEUBYKISCHG-UHFFFAOYSA-N
MW338.34 g/mol
LogP0.42
Rot. Bonds6

About 2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide

2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide (PubChem CID 21141365) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide
PubChem CID21141365
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide
SMILESO=C(O)CNc1ccccc1S(=O)(=O)c1ccccc1[NH+]([O-])O
InChIInChI=1S/C14H14N2O6S/c17-14(18)9-15-10-5-1-3-7-12(10)23(21,22)13-8-4-2-6-11(13)16(19)20/h1-8,15-16,19H,9H2,(H,17,18)
InChIKeyBEZXEUBYKISCHG-UHFFFAOYSA-N
XLogP0.42
TPSA131.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 43453612
N-hydroxy-2-(4-methylphenyl)sulfonylbenzeneamine oxide
CID 21141410
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CID 21117296
2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
CID 22301669
2-[2-(trifluoromethyl)anilino]acetic acid
CID 21238931
2-[[4-(carboxymethylamino)-9,10-dioxoanthracen-1-yl]amino]acetic acid
CID 135183133
[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride
CID 140973464
2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851212
2-[2-(4-fluorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851233
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-(2-acetylanilino)acetic acid;methanamine
CID 69423543
N-hydroxy-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzeneamine oxide
CID 163176866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide?
The IUPAC name of 2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide (CID 21141365) is 2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide?
The canonical SMILES for 2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide is O=C(O)CNc1ccccc1S(=O)(=O)c1ccccc1[NH+]([O-])O.
What is the InChIKey of 2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide?
The InChIKey is BEZXEUBYKISCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c17-14(18)9-15-10-5-1-3-7-12(10)23(21,22)13-8-4-2-6-11(13)16(19)20/h1-8,15-16,19H,9H2,(H,17,18).
What are the key properties of 2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide?
2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide has a molecular weight of 338.34 g/mol, XLogP of 0.42, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethylamino)phenyl]sulfonyl-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 21141365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).