2-[(5-bromothiophen-2-yl)sulfonylamino]acetate

C6H5BrNO4S2- — CID 4084127

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
SMILESO=C([O-])CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNO4S2/c7-4-1-2-6(13-4)14(11,12)8-3-5(9)10/h1-2,8H,3H2,(H,9,10)/p-1
InChIKeyGJBPQYHRQFWZHL-UHFFFAOYSA-M
MW299.15 g/mol
LogP-0.46
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate

2-[(5-bromothiophen-2-yl)sulfonylamino]acetate (PubChem CID 4084127) has the molecular formula C6H5BrNO4S2- and a molecular weight of 299.15 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
PubChem CID4084127
Molecular FormulaC6H5BrNO4S2-
Molecular Weight299.15 g/mol
Exact Mass297.88
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
SMILESO=C([O-])CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C6H6BrNO4S2/c7-4-1-2-6(13-4)14(11,12)8-3-5(9)10/h1-2,8H,3H2,(H,9,10)/p-1
InChIKeyGJBPQYHRQFWZHL-UHFFFAOYSA-M
XLogP-0.46
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate (CID 4084127) is 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate is O=C([O-])CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
The InChIKey is GJBPQYHRQFWZHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6BrNO4S2/c7-4-1-2-6(13-4)14(11,12)8-3-5(9)10/h1-2,8H,3H2,(H,9,10)/p-1.
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
2-[(5-bromothiophen-2-yl)sulfonylamino]acetate has a molecular weight of 299.15 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate is sourced from PubChem (CID 4084127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).