ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate

C8H9Br2NO4S2 — CID 3759616

IUPACethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H9Br2NO4S2/c1-2-15-6(12)4-11-17(13,14)7-3-5(9)8(10)16-7/h3,11H,2,4H2,1H3
InChIKeyOSSWLXABBVACCO-UHFFFAOYSA-N
MW407.11 g/mol
LogP2.11
Rot. Bonds5

About ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate

ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate (PubChem CID 3759616) has the molecular formula C8H9Br2NO4S2 and a molecular weight of 407.11 g/mol. Its IUPAC name is ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate
PubChem CID3759616
Molecular FormulaC8H9Br2NO4S2
Molecular Weight407.11 g/mol
Exact Mass404.83
IUPAC Nameethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H9Br2NO4S2/c1-2-15-6(12)4-11-17(13,14)7-3-5(9)8(10)16-7/h3,11H,2,4H2,1H3
InChIKeyOSSWLXABBVACCO-UHFFFAOYSA-N
XLogP2.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.11
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Bromothiophene-2-sulfonamido)acetic acid
CID 3242956
methyl (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3-methylbutanoate
CID 10736960
N-(5-bromothien-2-ylsulfonyl)glycine ethyl ester
CID 19681623
5-bromo-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 19681765
Methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]-3-methylbutanoate
CID 43404930
Ethane;methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]acetate;propane
CID 141938318
Ethyl 2-amino-3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoate
CID 145901243
Methyl 3-[(4,5-dibromothiophen-2-yl)sulfonylamino]propanoate
CID 3381472
4,5-dibromo-N-(2,2-diethoxyethyl)thiophene-2-sulfonamide
CID 3669752
Methyl 2-[(4,5-dibromothiophen-2-yl)sulfonyl-methylamino]acetate
CID 3706981
Propan-2-yl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoate
CID 3722053
Butyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate
CID 3739723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate (CID 3759616) is ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate?
The InChIKey is OSSWLXABBVACCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO4S2/c1-2-15-6(12)4-11-17(13,14)7-3-5(9)8(10)16-7/h3,11H,2,4H2,1H3.
What are the key properties of ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate?
ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate has a molecular weight of 407.11 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate is sourced from PubChem (CID 3759616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).