ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate

C18H18ClNO6S — CID 7725585

IUPACethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO6S/c1-2-25-18(22)14-5-9-16(10-6-14)27(23,24)20-11-17(21)26-12-13-3-7-15(19)8-4-13/h3-10,20H,2,11-12H2,1H3
InChIKeyVQOZGRFHRSWXQO-UHFFFAOYSA-N
MW411.86 g/mol
LogP2.54
Rot. Bonds8

About ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate

ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate (PubChem CID 7725585) has the molecular formula C18H18ClNO6S and a molecular weight of 411.86 g/mol. Its IUPAC name is ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
PubChem CID7725585
Molecular FormulaC18H18ClNO6S
Molecular Weight411.86 g/mol
Exact Mass411.05
IUPAC Nameethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO6S/c1-2-25-18(22)14-5-9-16(10-6-14)27(23,24)20-11-17(21)26-12-13-3-7-15(19)8-4-13/h3-10,20H,2,11-12H2,1H3
InChIKeyVQOZGRFHRSWXQO-UHFFFAOYSA-N
XLogP2.54
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.86
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-[(4-cyanophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725584
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
(4-chlorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753128
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate
CID 9191366
(4-methylsulfanylphenyl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738966
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate
CID 42328299
(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 1218601

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate (CID 7725585) is ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate?
The InChIKey is VQOZGRFHRSWXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO6S/c1-2-25-18(22)14-5-9-16(10-6-14)27(23,24)20-11-17(21)26-12-13-3-7-15(19)8-4-13/h3-10,20H,2,11-12H2,1H3.
What are the key properties of ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate?
ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate has a molecular weight of 411.86 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate is sourced from PubChem (CID 7725585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).