ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

C13H12ClFN2O4S2 — CID 10156542

IUPACethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H12ClFN2O4S2/c1-2-21-12(18)6-9-7-22-13(16-9)17-23(19,20)11-4-3-8(15)5-10(11)14/h3-5,7H,2,6H2,1H3,(H,16,17)
InChIKeyFIUOJUMQXLUVOT-UHFFFAOYSA-N
MW378.83 g/mol
LogP2.84
Rot. Bonds6

About ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 10156542) has the molecular formula C13H12ClFN2O4S2 and a molecular weight of 378.83 g/mol. Its IUPAC name is ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID10156542
Molecular FormulaC13H12ClFN2O4S2
Molecular Weight378.83 g/mol
Exact Mass377.99
IUPAC Nameethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H12ClFN2O4S2/c1-2-21-12(18)6-9-7-22-13(16-9)17-23(19,20)11-4-3-8(15)5-10(11)14/h3-5,7H,2,6H2,1H3,(H,16,17)
InChIKeyFIUOJUMQXLUVOT-UHFFFAOYSA-N
XLogP2.84
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 10156542) is ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)cc2Cl)n1.
What is the InChIKey of ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FIUOJUMQXLUVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O4S2/c1-2-21-12(18)6-9-7-22-13(16-9)17-23(19,20)11-4-3-8(15)5-10(11)14/h3-5,7H,2,6H2,1H3,(H,16,17).
What are the key properties of ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 378.83 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 10156542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).