methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate

C19H18Cl2N2O7S — CID 69185064

IUPACmethyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(Cc2cccc(Cl)c2Cl)S(=O)(=O)NC(=O)COC(C)=O)cc1
InChIInChI=1S/C19H18Cl2N2O7S/c1-12(24)30-11-17(25)22-31(27,28)23(10-14-4-3-5-16(20)18(14)21)15-8-6-13(7-9-15)19(26)29-2/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyQAHDYNCLXSBUGG-UHFFFAOYSA-N
MW489.33 g/mol
LogP2.71
Rot. Bonds8

About methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate

methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate (PubChem CID 69185064) has the molecular formula C19H18Cl2N2O7S and a molecular weight of 489.33 g/mol. Its IUPAC name is methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate
PubChem CID69185064
Molecular FormulaC19H18Cl2N2O7S
Molecular Weight489.33 g/mol
Exact Mass488.02
IUPAC Namemethyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(Cc2cccc(Cl)c2Cl)S(=O)(=O)NC(=O)COC(C)=O)cc1
InChIInChI=1S/C19H18Cl2N2O7S/c1-12(24)30-11-17(25)22-31(27,28)23(10-14-4-3-5-16(20)18(14)21)15-8-6-13(7-9-15)19(26)29-2/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyQAHDYNCLXSBUGG-UHFFFAOYSA-N
XLogP2.71
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate with MolForge

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Related Compounds

N-(3-acetamidopropyl)-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69183544
ethyl 4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoate
CID 1281132
4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide
CID 69184260
N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 16660952
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
methyl 4-[[2-(2,3-dichlorophenyl)ethylsulfonylamino]methyl]benzoate
CID 69182504
methyl 4-[(Z)-[[4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoyl]hydrazinylidene]methyl]benzoate
CID 92644414
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7939503
1,2-dichloro-3-[3-(dimethylamino)-2-(4-methoxycarbonyl-N-sulfinoanilino)-3-oxopropyl]benzene
CID 69184246
ethyl 4-[[2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate
CID 30130866
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide
CID 16662027
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603661

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate?
The IUPAC name of methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate (CID 69185064) is methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate.
What is the SMILES notation for methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate?
The canonical SMILES for methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate is COC(=O)c1ccc(N(Cc2cccc(Cl)c2Cl)S(=O)(=O)NC(=O)COC(C)=O)cc1.
What is the InChIKey of methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate?
The InChIKey is QAHDYNCLXSBUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O7S/c1-12(24)30-11-17(25)22-31(27,28)23(10-14-4-3-5-16(20)18(14)21)15-8-6-13(7-9-15)19(26)29-2/h3-9H,10-11H2,1-2H3,(H,22,25).
What are the key properties of methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate?
methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate has a molecular weight of 489.33 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-acetyloxyacetyl)sulfamoyl-[(2,3-dichlorophenyl)methyl]amino]benzoate is sourced from PubChem (CID 69185064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).