ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate

C8H11ClN2O4S2 — CID 54960441

IUPACethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H11ClN2O4S2/c1-3-15-7(12)5(2)11-17(13,14)6-4-10-8(9)16-6/h4-5,11H,3H2,1-2H3
InChIKeyQFCSLZJIJPKATL-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.03
Rot. Bonds5

About ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate

ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate (PubChem CID 54960441) has the molecular formula C8H11ClN2O4S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate
PubChem CID54960441
Molecular FormulaC8H11ClN2O4S2
Molecular Weight298.77 g/mol
Exact Mass297.98
IUPAC Nameethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H11ClN2O4S2/c1-3-15-7(12)5(2)11-17(13,14)6-4-10-8(9)16-6/h4-5,11H,3H2,1-2H3
InChIKeyQFCSLZJIJPKATL-UHFFFAOYSA-N
XLogP1.03
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate?
The IUPAC name of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate (CID 54960441) is ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate is CCOC(=O)C(C)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate?
The InChIKey is QFCSLZJIJPKATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S2/c1-3-15-7(12)5(2)11-17(13,14)6-4-10-8(9)16-6/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate?
ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate has a molecular weight of 298.77 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]propanoate is sourced from PubChem (CID 54960441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).