2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid

C6H5Br2NO5S2 — CID 60661178

IUPAC2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C6H5Br2NO5S2/c7-4-1-3(6(8)15-4)16(12,13)9-14-2-5(10)11/h1,9H,2H2,(H,10,11)
InChIKeyQWXCADAYNKQHMN-UHFFFAOYSA-N
MW395.05 g/mol
LogP1.57
Rot. Bonds5

About 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid

2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid (PubChem CID 60661178) has the molecular formula C6H5Br2NO5S2 and a molecular weight of 395.05 g/mol. Its IUPAC name is 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid
PubChem CID60661178
Molecular FormulaC6H5Br2NO5S2
Molecular Weight395.05 g/mol
Exact Mass392.80
IUPAC Name2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C6H5Br2NO5S2/c7-4-1-3(6(8)15-4)16(12,13)9-14-2-5(10)11/h1,9H,2H2,(H,10,11)
InChIKeyQWXCADAYNKQHMN-UHFFFAOYSA-N
XLogP1.57
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683979
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43238236
2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64672751
(2S)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methoxy-4-oxobutanoic acid
CID 61141773
methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoate
CID 60652067
2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid
CID 60661310
methyl 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxypropanoate
CID 43624311
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid
CID 60661245
(2S,3R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935243
(2R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894416
2,5-dibromo-N-propylthiophene-3-sulfonamide
CID 43212966
5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide
CID 82714354

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid (CID 60661178) is 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid is O=C(O)CONS(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid?
The InChIKey is QWXCADAYNKQHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NO5S2/c7-4-1-3(6(8)15-4)16(12,13)9-14-2-5(10)11/h1,9H,2H2,(H,10,11).
What are the key properties of 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid?
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid has a molecular weight of 395.05 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 60661178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).