2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid

C6H6ClNO5S2 — CID 60661310

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C6H6ClNO5S2/c7-4-1-2-6(14-4)15(11,12)8-13-3-5(9)10/h1-2,8H,3H2,(H,9,10)
InChIKeyMDGYTMVCVODNGN-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.70
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid

2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid (PubChem CID 60661310) has the molecular formula C6H6ClNO5S2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid
PubChem CID60661310
Molecular FormulaC6H6ClNO5S2
Molecular Weight271.70 g/mol
Exact Mass270.94
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid
SMILESO=C(O)CONS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C6H6ClNO5S2/c7-4-1-2-6(14-4)15(11,12)8-13-3-5(9)10/h1-2,8H,3H2,(H,9,10)
InChIKeyMDGYTMVCVODNGN-UHFFFAOYSA-N
XLogP0.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.70
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

2-[2-[(5-chlorothiophen-2-yl)sulfonylmethylamino]ethoxy]acetic acid
CID 69324049
2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 60640830
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992
3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258327
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
2-[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]ethoxy]acetic acid
CID 59820139
N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid
CID 60661178
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid (CID 60661310) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid is O=C(O)CONS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid?
The InChIKey is MDGYTMVCVODNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO5S2/c7-4-1-2-6(14-4)15(11,12)8-13-3-5(9)10/h1-2,8H,3H2,(H,9,10).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid?
2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid has a molecular weight of 271.70 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid is sourced from PubChem (CID 60661310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).