2-[(4-bromophenyl)sulfonylamino]oxyacetic acid

C8H8BrNO5S — CID 60661242

IUPAC2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO5S/c9-6-1-3-7(4-2-6)16(13,14)10-15-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyILFIWWZEALKVDS-UHFFFAOYSA-N
MW310.13 g/mol
LogP0.74
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]oxyacetic acid

2-[(4-bromophenyl)sulfonylamino]oxyacetic acid (PubChem CID 60661242) has the molecular formula C8H8BrNO5S and a molecular weight of 310.13 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
PubChem CID60661242
Molecular FormulaC8H8BrNO5S
Molecular Weight310.13 g/mol
Exact Mass308.93
IUPAC Name2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO5S/c9-6-1-3-7(4-2-6)16(13,14)10-15-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyILFIWWZEALKVDS-UHFFFAOYSA-N
XLogP0.74
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 50.74
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

2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
CID 60661455
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9038487
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
4-bromo-N-(methoxymethoxy)benzenesulfonamide
CID 110504620
2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid
CID 60661371
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid
CID 60661245
2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 2529382
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168161
3-[4-[(2-amino-2-oxoethoxy)sulfamoyl]phenoxy]propanoic acid
CID 115992016
2-[(4-methoxyphenyl)sulfonylamino]oxyacetamide
CID 112673531
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid
CID 60661178

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]oxyacetic acid (CID 60661242) is 2-[(4-bromophenyl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]oxyacetic acid is O=C(O)CONS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]oxyacetic acid?
The InChIKey is ILFIWWZEALKVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO5S/c9-6-1-3-7(4-2-6)16(13,14)10-15-5-8(11)12/h1-4,10H,5H2,(H,11,12).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]oxyacetic acid?
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid has a molecular weight of 310.13 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 60661242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).