ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

C14H14Cl2N2O4S2 — CID 2799594

IUPACethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N2O4S2/c1-3-22-13(19)5-9-7-23-14(17-9)18-24(20,21)12-4-8(2)10(15)6-11(12)16/h4,6-7H,3,5H2,1-2H3,(H,17,18)
InChIKeyDOCGWETVZQBVQM-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.66
Rot. Bonds6

About ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 2799594) has the molecular formula C14H14Cl2N2O4S2 and a molecular weight of 409.32 g/mol. Its IUPAC name is ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID2799594
Molecular FormulaC14H14Cl2N2O4S2
Molecular Weight409.32 g/mol
Exact Mass407.98
IUPAC Nameethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N2O4S2/c1-3-22-13(19)5-9-7-23-14(17-9)18-24(20,21)12-4-8(2)10(15)6-11(12)16/h4,6-7H,3,5H2,1-2H3,(H,17,18)
InChIKeyDOCGWETVZQBVQM-UHFFFAOYSA-N
XLogP3.66
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 2799594) is ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1.
What is the InChIKey of ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DOCGWETVZQBVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4S2/c1-3-22-13(19)5-9-7-23-14(17-9)18-24(20,21)12-4-8(2)10(15)6-11(12)16/h4,6-7H,3,5H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 409.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2799594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).