ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate

C17H16Cl3NO4S — CID 100509655

IUPACethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
SMILESCCOC(=O)c1cc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl
InChIInChI=1S/C17H16Cl3NO4S/c1-3-21(26(23,24)16-9-11(18)5-7-15(16)20)12-6-8-14(19)13(10-12)17(22)25-4-2/h5-10H,3-4H2,1-2H3
InChIKeyMITSOZWXWLCMIA-UHFFFAOYSA-N
MW436.74 g/mol
LogP5.04
Rot. Bonds6

About ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate

ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate (PubChem CID 100509655) has the molecular formula C17H16Cl3NO4S and a molecular weight of 436.74 g/mol. Its IUPAC name is ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
PubChem CID100509655
Molecular FormulaC17H16Cl3NO4S
Molecular Weight436.74 g/mol
Exact Mass434.99
IUPAC Nameethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
SMILESCCOC(=O)c1cc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl
InChIInChI=1S/C17H16Cl3NO4S/c1-3-21(26(23,24)16-9-11(18)5-7-15(16)20)12-6-8-14(19)13(10-12)17(22)25-4-2/h5-10H,3-4H2,1-2H3
InChIKeyMITSOZWXWLCMIA-UHFFFAOYSA-N
XLogP5.04
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.74
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-chloro-4-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509678
ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895540
ethyl 2-chloro-5-[ethyl-(4-nitrophenyl)sulfonylamino]benzoate
CID 100529645
ethyl 2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-4-methylanilino)acetate
CID 100508031
N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100506692
5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894659
ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate
CID 100507054
2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
ethyl 2-[N-(2,5-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893125
2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 50889999
2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 100508533

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate (CID 100509655) is ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate is CCOC(=O)c1cc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate?
The InChIKey is MITSOZWXWLCMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO4S/c1-3-21(26(23,24)16-9-11(18)5-7-15(16)20)12-6-8-14(19)13(10-12)17(22)25-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate?
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate has a molecular weight of 436.74 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate is sourced from PubChem (CID 100509655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).