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

C13H12Cl2N2O4S2 — CID 1147620

IUPACethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O4S2/c1-2-21-12(18)6-9-7-22-13(16-9)17-23(19,20)11-5-8(14)3-4-10(11)15/h3-5,7H,2,6H2,1H3,(H,16,17)
InChIKeyKACQGQGBDKICBL-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.36
Rot. Bonds6

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

ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 1147620) has the molecular formula C13H12Cl2N2O4S2 and a molecular weight of 395.29 g/mol. Its IUPAC name is ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID1147620
Molecular FormulaC13H12Cl2N2O4S2
Molecular Weight395.29 g/mol
Exact Mass393.96
IUPAC Nameethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O4S2/c1-2-21-12(18)6-9-7-22-13(16-9)17-23(19,20)11-5-8(14)3-4-10(11)15/h3-5,7H,2,6H2,1H3,(H,16,17)
InChIKeyKACQGQGBDKICBL-UHFFFAOYSA-N
XLogP3.36
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl (2-{[(4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 717529
[2-(4-Chloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1101318
Ethyl 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate;oxalic acid
CID 15945352
Ethyl {2-[(phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 717505
Ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 2799594
Ethyl [2-({[4-(methylthio)phenyl]sulfonyl}amino)-1,3-thiazol-4-yl]acetate
CID 1250173
Ethyl 2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 2799592
Ethyl 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2348497
Ethyl (2-{[(2,3,4-trifluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 10110296
Ethyl (2-{[(2,4,6-trifluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 10110297
Ethyl (2-{[(3-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 10154542
Ethyl (2-{[(2-chloro-4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 10156542

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 1147620) is ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KACQGQGBDKICBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4S2/c1-2-21-12(18)6-9-7-22-13(16-9)17-23(19,20)11-5-8(14)3-4-10(11)15/h3-5,7H,2,6H2,1H3,(H,16,17).
What are the key properties of ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 395.29 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,5-dichlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1147620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).