ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate

C8H10ClN3O4S — CID 116798767

IUPACethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C8H10ClN3O4S/c1-2-16-7(13)5-17(14,15)12-6-3-4-10-8(9)11-6/h3-4H,2,5H2,1H3,(H,10,11,12)
InChIKeyNIRBVHFIZHAJPM-UHFFFAOYSA-N
MW279.70 g/mol
LogP0.43
Rot. Bonds5

About ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate

ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate (PubChem CID 116798767) has the molecular formula C8H10ClN3O4S and a molecular weight of 279.70 g/mol. Its IUPAC name is ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate
PubChem CID116798767
Molecular FormulaC8H10ClN3O4S
Molecular Weight279.70 g/mol
Exact Mass279.01
IUPAC Nameethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C8H10ClN3O4S/c1-2-16-7(13)5-17(14,15)12-6-3-4-10-8(9)11-6/h3-4H,2,5H2,1H3,(H,10,11,12)
InChIKeyNIRBVHFIZHAJPM-UHFFFAOYSA-N
XLogP0.43
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
CID 62342073
6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63642577
ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate
CID 104821537
N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
CID 116798844
6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61456601
3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528667
ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate
CID 55063325
ethyl 2-[[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]acetate
CID 61457398
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
CID 116798900
N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 116798756
5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
CID 116798881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate (CID 116798767) is ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate?
The InChIKey is NIRBVHFIZHAJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O4S/c1-2-16-7(13)5-17(14,15)12-6-3-4-10-8(9)11-6/h3-4H,2,5H2,1H3,(H,10,11,12).
What are the key properties of ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate?
ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate has a molecular weight of 279.70 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate is sourced from PubChem (CID 116798767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).