ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate

C14H13F3N2O4S2 — CID 91063482

IUPACethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(NS(=O)(=O)c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C14H13F3N2O4S2/c1-2-23-12(20)7-9-8-18-13(24-9)19-25(21,22)11-6-4-3-5-10(11)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19)
InChIKeyLWLUCCIHYZPFJF-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.07
Rot. Bonds6

About ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate

ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate (PubChem CID 91063482) has the molecular formula C14H13F3N2O4S2 and a molecular weight of 394.40 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate
PubChem CID91063482
Molecular FormulaC14H13F3N2O4S2
Molecular Weight394.40 g/mol
Exact Mass394.03
IUPAC Nameethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(NS(=O)(=O)c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C14H13F3N2O4S2/c1-2-23-12(20)7-9-8-18-13(24-9)19-25(21,22)11-6-4-3-5-10(11)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19)
InChIKeyLWLUCCIHYZPFJF-UHFFFAOYSA-N
XLogP3.07
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.07
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-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate (CID 91063482) is ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1cnc(NS(=O)(=O)c2ccccc2C(F)(F)F)s1.
What is the InChIKey of ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate?
The InChIKey is LWLUCCIHYZPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S2/c1-2-23-12(20)7-9-8-18-13(24-9)19-25(21,22)11-6-4-3-5-10(11)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,19).
What are the key properties of ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate has a molecular weight of 394.40 g/mol, XLogP of 3.07, 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-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 91063482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).