ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate

C18H17Cl2NO6S — CID 100507054

IUPACethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2NO6S/c1-3-27-18(23)13-6-4-5-7-15(13)21(11-17(22)26-2)28(24,25)16-10-12(19)8-9-14(16)20/h4-10H,3,11H2,1-2H3
InChIKeyCMUPQKAZSYACGN-UHFFFAOYSA-N
MW446.31 g/mol
LogP3.54
Rot. Bonds7

About ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate

ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate (PubChem CID 100507054) has the molecular formula C18H17Cl2NO6S and a molecular weight of 446.31 g/mol. Its IUPAC name is ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate
PubChem CID100507054
Molecular FormulaC18H17Cl2NO6S
Molecular Weight446.31 g/mol
Exact Mass445.02
IUPAC Nameethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2NO6S/c1-3-27-18(23)13-6-4-5-7-15(13)21(11-17(22)26-2)28(24,25)16-10-12(19)8-9-14(16)20/h4-10H,3,11H2,1-2H3
InChIKeyCMUPQKAZSYACGN-UHFFFAOYSA-N
XLogP3.54
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50892663
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
CID 100509655
ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895540
ethyl 2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-4-methylanilino)acetate
CID 100508031
ethyl 3-[(4-fluorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]-2-methylbenzoate
CID 100505339
ethyl 2-[N-(2,5-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893125
2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797
2-[(3-chloro-2-methylphenyl)-(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
CID 18615583
propan-2-yl 2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetate
CID 50893883
ethyl 2-chloro-4-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509678
2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 42979737
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate (CID 100507054) is ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate is CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate?
The InChIKey is CMUPQKAZSYACGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO6S/c1-3-27-18(23)13-6-4-5-7-15(13)21(11-17(22)26-2)28(24,25)16-10-12(19)8-9-14(16)20/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate?
ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate has a molecular weight of 446.31 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate is sourced from PubChem (CID 100507054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).