2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid

C9H10N2O7S — CID 63915357

IUPAC2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O7S/c12-9(13)5-18-10-19(16,17)6-7-1-3-8(4-2-7)11(14)15/h1-4,10H,5-6H2,(H,12,13)
InChIKeyRKQMGHCBMKRMRT-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.03
Rot. Bonds7

About 2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid

2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid (PubChem CID 63915357) has the molecular formula C9H10N2O7S and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid
PubChem CID63915357
Molecular FormulaC9H10N2O7S
Molecular Weight290.25 g/mol
Exact Mass290.02
IUPAC Name2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O7S/c12-9(13)5-18-10-19(16,17)6-7-1-3-8(4-2-7)11(14)15/h1-4,10H,5-6H2,(H,12,13)
InChIKeyRKQMGHCBMKRMRT-UHFFFAOYSA-N
XLogP0.03
TPSA135.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(4-cyanophenyl)methylsulfonylamino]oxyacetic acid
CID 60693504
(2S)-2-[(4-nitrophenyl)methylsulfonylamino]propanoic acid
CID 28523651
2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide
CID 107258388
2-[(4-nitrobenzoyl)amino]oxyacetic acid
CID 60668150
1-[[(4-nitrophenyl)methylsulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450275
2-[(4-methylphenyl)methyl]-3-[(4-nitrophenyl)methylsulfonylamino]propanoic acid
CID 167887981
N-(2-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide
CID 63732751
2-[(4-nitrophenyl)methylsulfonylamino]pentanoic acid
CID 43631147
N-(4-hydroxycyclohexyl)-1-(4-nitrophenyl)methanesulfonamide
CID 43419374
1-(4-nitrophenyl)-N-prop-2-ynylmethanesulfonamide
CID 58956310
2-[(4-nitrophenyl)methylsulfonylamino]ethanesulfonamide
CID 61132756
1-(4-nitrophenyl)-N-pentan-3-ylmethanesulfonamide
CID 47164690

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid (CID 63915357) is 2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid is O=C(O)CONS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid?
The InChIKey is RKQMGHCBMKRMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O7S/c12-9(13)5-18-10-19(16,17)6-7-1-3-8(4-2-7)11(14)15/h1-4,10H,5-6H2,(H,12,13).
What are the key properties of 2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid?
2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid has a molecular weight of 290.25 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid is sourced from PubChem (CID 63915357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).