2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid

C9H10N2O8S — CID 60713550

IUPAC2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid
SMILESCOc1ccc(S(=O)(=O)NOCC(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O8S/c1-18-6-2-3-8(7(4-6)11(14)15)20(16,17)10-19-5-9(12)13/h2-4,10H,5H2,1H3,(H,12,13)
InChIKeyFAOOWWCEZQXCFH-UHFFFAOYSA-N
MW306.25 g/mol
LogP-0.10
Rot. Bonds7

About 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid

2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid (PubChem CID 60713550) has the molecular formula C9H10N2O8S and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid
PubChem CID60713550
Molecular FormulaC9H10N2O8S
Molecular Weight306.25 g/mol
Exact Mass306.02
IUPAC Name2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid
SMILESCOc1ccc(S(=O)(=O)NOCC(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O8S/c1-18-6-2-3-8(7(4-6)11(14)15)20(16,17)10-19-5-9(12)13/h2-4,10H,5H2,1H3,(H,12,13)
InChIKeyFAOOWWCEZQXCFH-UHFFFAOYSA-N
XLogP-0.10
TPSA145.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43501926
N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43502283
N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide
CID 47052146
4-methoxy-2-nitro-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994519
N-(2-hydroxypentyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 115754543
N-(2-aminoethyl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119960005
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2-nitrobenzenesulfonamide
CID 79245918
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 104858875
sodium 4-methoxy-2-nitrobenzenesulfonate
CID 112704965
2-[2-(4-methoxy-2-nitroanilino)ethoxy]acetic acid
CID 79456576
N-[(3-hydroxycyclobutyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 66007171
butyl 4-[(4-methoxy-2-nitrophenyl)sulfonylamino]benzoate
CID 24621712

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid (CID 60713550) is 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid is COc1ccc(S(=O)(=O)NOCC(=O)O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid?
The InChIKey is FAOOWWCEZQXCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O8S/c1-18-6-2-3-8(7(4-6)11(14)15)20(16,17)10-19-5-9(12)13/h2-4,10H,5H2,1H3,(H,12,13).
What are the key properties of 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid?
2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid has a molecular weight of 306.25 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-nitrophenyl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 60713550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).