[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

C16H11Cl2N3O4S — CID 16539764

IUPAC[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1cccc2nsnc12
InChIInChI=1S/C16H11Cl2N3O4S/c17-9-4-5-13(10(18)6-9)24-8-15(23)25-7-14(22)19-11-2-1-3-12-16(11)21-26-20-12/h1-6H,7-8H2,(H,19,22)
InChIKeyMCWCNIVBAREAQT-UHFFFAOYSA-N
MW412.25 g/mol
LogP3.56
Rot. Bonds6

About [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 16539764) has the molecular formula C16H11Cl2N3O4S and a molecular weight of 412.25 g/mol. Its IUPAC name is [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID16539764
Molecular FormulaC16H11Cl2N3O4S
Molecular Weight412.25 g/mol
Exact Mass410.98
IUPAC Name[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1cccc2nsnc12
InChIInChI=1S/C16H11Cl2N3O4S/c17-9-4-5-13(10(18)6-9)24-8-15(23)25-7-14(22)19-11-2-1-3-12-16(11)21-26-20-12/h1-6H,7-8H2,(H,19,22)
InChIKeyMCWCNIVBAREAQT-UHFFFAOYSA-N
XLogP3.56
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 16525238
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750717
N-(2,1,3-benzothiadiazol-4-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 4857109
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843294
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846830
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 4845389
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2378781
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2433678
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 16512082
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
2-(2,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 2180532
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3343843

Frequently Asked Questions

What is the IUPAC name of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 16539764) is [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1cccc2nsnc12.
What is the InChIKey of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is MCWCNIVBAREAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O4S/c17-9-4-5-13(10(18)6-9)24-8-15(23)25-7-14(22)19-11-2-1-3-12-16(11)21-26-20-12/h1-6H,7-8H2,(H,19,22).
What are the key properties of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 412.25 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 16539764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).