2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid

C10H12N2O6S — CID 63914257

IUPAC2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O6S/c13-9(12-18-7-10(14)15)6-11-19(16,17)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)(H,14,15)
InChIKeyNAHHBKVHWBZPKU-UHFFFAOYSA-N
MW288.28 g/mol
LogP-0.90
Rot. Bonds7

About 2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid

2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid (PubChem CID 63914257) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
PubChem CID63914257
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O6S/c13-9(12-18-7-10(14)15)6-11-19(16,17)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)(H,14,15)
InChIKeyNAHHBKVHWBZPKU-UHFFFAOYSA-N
XLogP-0.90
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250
N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide
CID 167626658
2-(benzenesulfonamido)-N-(2,6-dichlorophenyl)acetamide
CID 113001458
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 8523115
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
1-[[2-(benzenesulfonamido)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163965
2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide
CID 166212100
N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 5053878
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid (CID 63914257) is 2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid is O=C(O)CONC(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid?
The InChIKey is NAHHBKVHWBZPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c13-9(12-18-7-10(14)15)6-11-19(16,17)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)(H,14,15).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid?
2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid has a molecular weight of 288.28 g/mol, XLogP of -0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid is sourced from PubChem (CID 63914257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).