ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate

C18H19Cl2NO4S — CID 164616003

IUPACethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO4S/c1-3-21(26(23,24)17-12-14(19)7-10-16(17)20)15-8-5-13(6-9-15)11-18(22)25-4-2/h5-10,12H,3-4,11H2,1-2H3
InChIKeyGURVLRYWGAANNI-UHFFFAOYSA-N
MW416.33 g/mol
LogP4.31
Rot. Bonds7

About ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate

ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate (PubChem CID 164616003) has the molecular formula C18H19Cl2NO4S and a molecular weight of 416.33 g/mol. Its IUPAC name is ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate
PubChem CID164616003
Molecular FormulaC18H19Cl2NO4S
Molecular Weight416.33 g/mol
Exact Mass415.04
IUPAC Nameethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H19Cl2NO4S/c1-3-21(26(23,24)17-12-14(19)7-10-16(17)20)15-8-5-13(6-9-15)11-18(22)25-4-2/h5-10,12H,3-4,11H2,1-2H3
InChIKeyGURVLRYWGAANNI-UHFFFAOYSA-N
XLogP4.31
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate (CID 164616003) is ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate is CCOC(=O)Cc1ccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate?
The InChIKey is GURVLRYWGAANNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO4S/c1-3-21(26(23,24)17-12-14(19)7-10-16(17)20)15-8-5-13(6-9-15)11-18(22)25-4-2/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate?
ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate has a molecular weight of 416.33 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate is sourced from PubChem (CID 164616003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).