methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate

C10H12N2O5S — CID 68846024

IUPACmethyl 2-[(2-aminoacetyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(=O)CN
InChIInChI=1S/C10H12N2O5S/c1-17-10(14)7-4-2-3-5-8(7)18(15,16)12-9(13)6-11/h2-5H,6,11H2,1H3,(H,12,13)
InChIKeyOESGQPKLFVGRGE-UHFFFAOYSA-N
MW272.28 g/mol
LogP-0.76
Rot. Bonds4

About methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate

methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate (PubChem CID 68846024) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-aminoacetyl)sulfamoyl]benzoate
PubChem CID68846024
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Namemethyl 2-[(2-aminoacetyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(=O)CN
InChIInChI=1S/C10H12N2O5S/c1-17-10(14)7-4-2-3-5-8(7)18(15,16)12-9(13)6-11/h2-5H,6,11H2,1H3,(H,12,13)
InChIKeyOESGQPKLFVGRGE-UHFFFAOYSA-N
XLogP-0.76
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 101190058
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-(aminomethylsulfonyl)benzoate
CID 71067036
methyl 2-[(propanoylamino)sulfamoyl]benzoate
CID 8505481
methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate
CID 110190793
methyl 2-[(4-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 19812309
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate
CID 103833585
methyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)benzoate
CID 13176579
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate
CID 12857942
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate (CID 68846024) is methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NC(=O)CN.
What is the InChIKey of methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate?
The InChIKey is OESGQPKLFVGRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-17-10(14)7-4-2-3-5-8(7)18(15,16)12-9(13)6-11/h2-5H,6,11H2,1H3,(H,12,13).
What are the key properties of methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate?
methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate has a molecular weight of 272.28 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate is sourced from PubChem (CID 68846024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).