methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate

C16H16N2O5S — CID 12857942

IUPACmethyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O5S/c1-23-16(20)13-9-5-6-10-14(13)24(21,22)17-11-15(19)18-12-7-3-2-4-8-12/h2-10,17H,11H2,1H3,(H,18,19)
InChIKeyARGCXNSTJXZVKS-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.39
Rot. Bonds6

About methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate

methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate (PubChem CID 12857942) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate
PubChem CID12857942
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O5S/c1-23-16(20)13-9-5-6-10-14(13)24(21,22)17-11-15(19)18-12-7-3-2-4-8-12/h2-10,17H,11H2,1H3,(H,18,19)
InChIKeyARGCXNSTJXZVKS-UHFFFAOYSA-N
XLogP1.39
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]benzoate
CID 115455434
methyl 2-[[2-(dimethoxyphosphorylmethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 11794926
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
2-[[2-[4-(3,4-dichlorophenyl)anilino]-2-oxoethyl]sulfamoyl]benzoic acid
CID 46880353
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 101190058
ethyl 2-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 12634204
methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate
CID 68846024
N-(4-chlorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997960

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate (CID 12857942) is methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc1ccccc1.
What is the InChIKey of methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate?
The InChIKey is ARGCXNSTJXZVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-23-16(20)13-9-5-6-10-14(13)24(21,22)17-11-15(19)18-12-7-3-2-4-8-12/h2-10,17H,11H2,1H3,(H,18,19).
What are the key properties of methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate?
methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate has a molecular weight of 348.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate is sourced from PubChem (CID 12857942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).