ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate

C9H11Br2N3O4S — CID 114073780

IUPACethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)Nc1ncc(Br)nc1Br
InChIInChI=1S/C9H11Br2N3O4S/c1-2-18-7(15)3-4-19(16,17)14-9-8(11)13-6(10)5-12-9/h5H,2-4H2,1H3,(H,12,14)
InChIKeyHIXWZZRBKYPMMG-UHFFFAOYSA-N
MW417.08 g/mol
LogP1.70
Rot. Bonds6

About ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate

ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate (PubChem CID 114073780) has the molecular formula C9H11Br2N3O4S and a molecular weight of 417.08 g/mol. Its IUPAC name is ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate
PubChem CID114073780
Molecular FormulaC9H11Br2N3O4S
Molecular Weight417.08 g/mol
Exact Mass414.88
IUPAC Nameethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)Nc1ncc(Br)nc1Br
InChIInChI=1S/C9H11Br2N3O4S/c1-2-18-7(15)3-4-19(16,17)14-9-8(11)13-6(10)5-12-9/h5H,2-4H2,1H3,(H,12,14)
InChIKeyHIXWZZRBKYPMMG-UHFFFAOYSA-N
XLogP1.70
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.08
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate
CID 113391864
3-[(3-ethoxy-3-oxopropyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527880
1-bromo(1,2-13C2)propan-2-one;3,5-dibromopyrazin-2-amine;ethyl 2-[(3,5-dibromopyrazin-2-yl)amino]acetate
CID 159283940
ethyl 3-[(4-hydroxyphenyl)sulfamoyl]propanoate
CID 54951576
ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate
CID 54951727
ethyl 3-[(2-amino-4,5-dimethylphenyl)sulfamoyl]propanoate
CID 62099108
ethyl 3-[(5-amino-2-bromo-4-fluorophenyl)sulfamoyl]propanoate
CID 91571495
ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate
CID 64543438
ethyl 3-[(3-amino-4-ethylphenyl)sulfamoyl]propanoate
CID 61459123
ethyl 3-[(3-amino-2,6-dimethylphenyl)sulfamoyl]propanoate
CID 61459319
ethyl 2-[[5-bromo-3-[(4-methoxycyclohexyl)amino]pyrazin-2-yl]amino]acetate;ethyl 2-[(3,5-dibromopyrazin-2-yl)amino]acetate;4-methoxycyclohexan-1-amine;hydrochloride
CID 158347552
methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate
CID 54952595

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate (CID 114073780) is ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)Nc1ncc(Br)nc1Br.
What is the InChIKey of ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate?
The InChIKey is HIXWZZRBKYPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3O4S/c1-2-18-7(15)3-4-19(16,17)14-9-8(11)13-6(10)5-12-9/h5H,2-4H2,1H3,(H,12,14).
What are the key properties of ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate?
ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate has a molecular weight of 417.08 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3,5-dibromopyrazin-2-yl)sulfamoyl]propanoate is sourced from PubChem (CID 114073780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).