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

C8H10BrNO4S2 — CID 19681623

IUPACethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNO4S2/c1-2-14-7(11)5-10-16(12,13)8-4-3-6(9)15-8/h3-4,10H,2,5H2,1H3
InChIKeySMAOXPVSOYZIIC-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.35
Rot. Bonds5

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

ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate (PubChem CID 19681623) has the molecular formula C8H10BrNO4S2 and a molecular weight of 328.21 g/mol. Its IUPAC name is ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
PubChem CID19681623
Molecular FormulaC8H10BrNO4S2
Molecular Weight328.21 g/mol
Exact Mass326.92
IUPAC Nameethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H10BrNO4S2/c1-2-14-7(11)5-10-16(12,13)8-4-3-6(9)15-8/h3-4,10H,2,5H2,1H3
InChIKeySMAOXPVSOYZIIC-UHFFFAOYSA-N
XLogP1.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate (CID 19681623) is ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
The InChIKey is SMAOXPVSOYZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO4S2/c1-2-14-7(11)5-10-16(12,13)8-4-3-6(9)15-8/h3-4,10H,2,5H2,1H3.
What are the key properties of ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate?
ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate has a molecular weight of 328.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate is sourced from PubChem (CID 19681623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).