ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate

C9H11BrN2O4S — CID 118092805

IUPACethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O4S/c1-2-16-9(13)6-12-17(14,15)8-4-3-7(10)5-11-8/h3-5,12H,2,6H2,1H3
InChIKeyFVJKLRLODUUSHW-UHFFFAOYSA-N
MW323.17 g/mol
LogP0.69
Rot. Bonds5

About ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate

ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate (PubChem CID 118092805) has the molecular formula C9H11BrN2O4S and a molecular weight of 323.17 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate
PubChem CID118092805
Molecular FormulaC9H11BrN2O4S
Molecular Weight323.17 g/mol
Exact Mass321.96
IUPAC Nameethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O4S/c1-2-16-9(13)6-12-17(14,15)8-4-3-7(10)5-11-8/h3-5,12H,2,6H2,1H3
InChIKeyFVJKLRLODUUSHW-UHFFFAOYSA-N
XLogP0.69
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872614
6-[(4-ethoxy-4-oxobutyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64577123
ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 12634204
5-bromo-N-[2-[methyl(methylsulfonyl)amino]ethyl]pyridine-2-sulfonamide
CID 118292937
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
CID 113242602
ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
CID 103299284
5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide
CID 119094857
ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 62958002
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
ethyl 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]acetate
CID 54921028

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate (CID 118092805) is ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(Br)cn1.
What is the InChIKey of ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate?
The InChIKey is FVJKLRLODUUSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O4S/c1-2-16-9(13)6-12-17(14,15)8-4-3-7(10)5-11-8/h3-5,12H,2,6H2,1H3.
What are the key properties of ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate?
ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate has a molecular weight of 323.17 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromo-2-pyridinyl)sulfonylamino]acetate is sourced from PubChem (CID 118092805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).