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

C15H17ClN2O4S2 — CID 2799591

IUPACethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)n1
InChIInChI=1S/C15H17ClN2O4S2/c1-4-22-14(19)7-11-8-23-15(17-11)18-24(20,21)13-6-9(2)12(16)5-10(13)3/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKeyDVAQZPOPYAJLPP-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.32
Rot. Bonds6

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

ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 2799591) has the molecular formula C15H17ClN2O4S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID2799591
Molecular FormulaC15H17ClN2O4S2
Molecular Weight388.90 g/mol
Exact Mass388.03
IUPAC Nameethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)n1
InChIInChI=1S/C15H17ClN2O4S2/c1-4-22-14(19)7-11-8-23-15(17-11)18-24(20,21)13-6-9(2)12(16)5-10(13)3/h5-6,8H,4,7H2,1-3H3,(H,17,18)
InChIKeyDVAQZPOPYAJLPP-UHFFFAOYSA-N
XLogP3.32
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 2799591) is ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)n1.
What is the InChIKey of ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DVAQZPOPYAJLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S2/c1-4-22-14(19)7-11-8-23-15(17-11)18-24(20,21)13-6-9(2)12(16)5-10(13)3/h5-6,8H,4,7H2,1-3H3,(H,17,18).
What are the key properties of ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 388.90 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2799591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).