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

C14H15ClN2O4S2 — CID 11199690

IUPACethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1
InChIInChI=1S/C14H15ClN2O4S2/c1-3-21-13(18)7-10-8-16-14(22-10)17-23(19,20)12-6-4-5-11(15)9(12)2/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyZLMWQXRGFAYMRS-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.01
Rot. Bonds6

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

ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate (PubChem CID 11199690) has the molecular formula C14H15ClN2O4S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
PubChem CID11199690
Molecular FormulaC14H15ClN2O4S2
Molecular Weight374.87 g/mol
Exact Mass374.02
IUPAC Nameethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1
InChIInChI=1S/C14H15ClN2O4S2/c1-3-21-13(18)7-10-8-16-14(22-10)17-23(19,20)12-6-4-5-11(15)9(12)2/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyZLMWQXRGFAYMRS-UHFFFAOYSA-N
XLogP3.01
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate (CID 11199690) is ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)s1.
What is the InChIKey of ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate?
The InChIKey is ZLMWQXRGFAYMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S2/c1-3-21-13(18)7-10-8-16-14(22-10)17-23(19,20)12-6-4-5-11(15)9(12)2/h4-6,8H,3,7H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate has a molecular weight of 374.87 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 11199690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).