2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid

C9H10ClNO5S — CID 61062135

IUPAC2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)NOCC(=O)O
InChIInChI=1S/C9H10ClNO5S/c1-6-4-7(10)2-3-8(6)17(14,15)11-16-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyYXYNNYYXVKFHRO-UHFFFAOYSA-N
MW279.70 g/mol
LogP0.94
Rot. Bonds5

About 2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid

2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid (PubChem CID 61062135) has the molecular formula C9H10ClNO5S and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid
PubChem CID61062135
Molecular FormulaC9H10ClNO5S
Molecular Weight279.70 g/mol
Exact Mass279.00
IUPAC Name2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)NOCC(=O)O
InChIInChI=1S/C9H10ClNO5S/c1-6-4-7(10)2-3-8(6)17(14,15)11-16-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
InChIKeyYXYNNYYXVKFHRO-UHFFFAOYSA-N
XLogP0.94
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82715590
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
CID 60661324
2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43470023
2-[(2,5-dichlorophenyl)sulfonylamino]oxyacetamide
CID 112673471
4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405
3-[(4-chloro-2-methylphenyl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
CID 166288413
2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]oxyacetic acid
CID 60661414
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229
4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616407

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid (CID 61062135) is 2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid is Cc1cc(Cl)ccc1S(=O)(=O)NOCC(=O)O.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid?
The InChIKey is YXYNNYYXVKFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO5S/c1-6-4-7(10)2-3-8(6)17(14,15)11-16-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13).
What are the key properties of 2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid?
2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid has a molecular weight of 279.70 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 61062135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).