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

C13H11F3N2O4S2 — CID 10110296

IUPACethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C13H11F3N2O4S2/c1-2-22-10(19)5-7-6-23-13(17-7)18-24(20,21)9-4-3-8(14)11(15)12(9)16/h3-4,6H,2,5H2,1H3,(H,17,18)
InChIKeyFFIWDZOIZSYFCK-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.47
Rot. Bonds6

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

ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 10110296) has the molecular formula C13H11F3N2O4S2 and a molecular weight of 380.37 g/mol. Its IUPAC name is ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID10110296
Molecular FormulaC13H11F3N2O4S2
Molecular Weight380.37 g/mol
Exact Mass380.01
IUPAC Nameethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C13H11F3N2O4S2/c1-2-22-10(19)5-7-6-23-13(17-7)18-24(20,21)9-4-3-8(14)11(15)12(9)16/h3-4,6H,2,5H2,1H3,(H,17,18)
InChIKeyFFIWDZOIZSYFCK-UHFFFAOYSA-N
XLogP2.47
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 10110296) is ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(F)c(F)c2F)n1.
What is the InChIKey of ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FFIWDZOIZSYFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4S2/c1-2-22-10(19)5-7-6-23-13(17-7)18-24(20,21)9-4-3-8(14)11(15)12(9)16/h3-4,6H,2,5H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 380.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,3,4-trifluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 10110296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).