methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate

C22H19ClN2O6S — CID 46405073

IUPACmethyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1
InChIInChI=1S/C22H19ClN2O6S/c1-30-21(26)14-31-17-8-5-7-16(13-17)24-22(27)15-6-4-9-18(12-15)32(28,29)25-20-11-3-2-10-19(20)23/h2-13,25H,14H2,1H3,(H,24,27)
InChIKeyIAXNNBPDWVOEKB-UHFFFAOYSA-N
MW474.92 g/mol
LogP3.94
Rot. Bonds8

About methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate

methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate (PubChem CID 46405073) has the molecular formula C22H19ClN2O6S and a molecular weight of 474.92 g/mol. Its IUPAC name is methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate
PubChem CID46405073
Molecular FormulaC22H19ClN2O6S
Molecular Weight474.92 g/mol
Exact Mass474.07
IUPAC Namemethyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1
InChIInChI=1S/C22H19ClN2O6S/c1-30-21(26)14-31-17-8-5-7-16(13-17)24-22(27)15-6-4-9-18(12-15)32(28,29)25-20-11-3-2-10-19(20)23/h2-13,25H,14H2,1H3,(H,24,27)
InChIKeyIAXNNBPDWVOEKB-UHFFFAOYSA-N
XLogP3.94
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26593129
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate
CID 55871864
3-[(2-chlorophenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 30859194
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 29373777
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55960868
N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30697316
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 39265874
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate (CID 46405073) is methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1.
What is the InChIKey of methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate?
The InChIKey is IAXNNBPDWVOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O6S/c1-30-21(26)14-31-17-8-5-7-16(13-17)24-22(27)15-6-4-9-18(12-15)32(28,29)25-20-11-3-2-10-19(20)23/h2-13,25H,14H2,1H3,(H,24,27).
What are the key properties of methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate?
methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate has a molecular weight of 474.92 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-[(2-chlorophenyl)sulfamoyl]benzoyl]amino]phenoxy]acetate is sourced from PubChem (CID 46405073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).