ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate

C18H19ClN2O6S — CID 59788614

IUPACethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H19ClN2O6S/c1-3-27-17(22)11-20-18(23)15-10-12(19)4-9-16(15)21-28(24,25)14-7-5-13(26-2)6-8-14/h4-10,21H,3,11H2,1-2H3,(H,20,23)
InChIKeyGDBAPOVJQZHXGY-UHFFFAOYSA-N
MW426.88 g/mol
LogP2.44
Rot. Bonds8

About ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate

ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate (PubChem CID 59788614) has the molecular formula C18H19ClN2O6S and a molecular weight of 426.88 g/mol. Its IUPAC name is ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate
PubChem CID59788614
Molecular FormulaC18H19ClN2O6S
Molecular Weight426.88 g/mol
Exact Mass426.07
IUPAC Nameethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H19ClN2O6S/c1-3-27-17(22)11-20-18(23)15-10-12(19)4-9-16(15)21-28(24,25)14-7-5-13(26-2)6-8-14/h4-10,21H,3,11H2,1-2H3,(H,20,23)
InChIKeyGDBAPOVJQZHXGY-UHFFFAOYSA-N
XLogP2.44
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate with MolForge

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Related Compounds

ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646291
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide
CID 22646312
N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
CID 2447787
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 18158719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate?
The IUPAC name of ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate (CID 59788614) is ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate is CCOC(=O)CNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate?
The InChIKey is GDBAPOVJQZHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6S/c1-3-27-17(22)11-20-18(23)15-10-12(19)4-9-16(15)21-28(24,25)14-7-5-13(26-2)6-8-14/h4-10,21H,3,11H2,1-2H3,(H,20,23).
What are the key properties of ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate?
ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate has a molecular weight of 426.88 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-chloro-2-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]acetate is sourced from PubChem (CID 59788614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).