2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid

C8H6BrCl2NO5S — CID 60661245

IUPAC2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C8H6BrCl2NO5S/c9-4-1-5(10)8(6(11)2-4)18(15,16)12-17-3-7(13)14/h1-2,12H,3H2,(H,13,14)
InChIKeyROQAWSIFRDPELM-UHFFFAOYSA-N
MW379.02 g/mol
LogP2.05
Rot. Bonds5

About 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid

2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid (PubChem CID 60661245) has the molecular formula C8H6BrCl2NO5S and a molecular weight of 379.02 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid
PubChem CID60661245
Molecular FormulaC8H6BrCl2NO5S
Molecular Weight379.02 g/mol
Exact Mass376.85
IUPAC Name2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C8H6BrCl2NO5S/c9-4-1-5(10)8(6(11)2-4)18(15,16)12-17-3-7(13)14/h1-2,12H,3H2,(H,13,14)
InChIKeyROQAWSIFRDPELM-UHFFFAOYSA-N
XLogP2.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.02
LogP ≤ 52.05
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-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]oxyacetic acid
CID 60661414
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82723965
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793309
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid
CID 60661178
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
CID 43631162
4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502
4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833989
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid
CID 60661310
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]oxyacetic acid
CID 60661220

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid (CID 60661245) is 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid is O=C(O)CONS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid?
The InChIKey is ROQAWSIFRDPELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2NO5S/c9-4-1-5(10)8(6(11)2-4)18(15,16)12-17-3-7(13)14/h1-2,12H,3H2,(H,13,14).
What are the key properties of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid?
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid has a molecular weight of 379.02 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 60661245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).