2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid

C10H12N2O5S — CID 43374078

IUPAC2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
SMILESCN(CC(N)=O)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H12N2O5S/c1-12(6-9(11)13)18(16,17)8-5-3-2-4-7(8)10(14)15/h2-5H,6H2,1H3,(H2,11,13)(H,14,15)
InChIKeyFVFMHSNUOGOCLU-UHFFFAOYSA-N
MW272.28 g/mol
LogP-0.51
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid

2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid (PubChem CID 43374078) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
PubChem CID43374078
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
SMILESCN(CC(N)=O)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H12N2O5S/c1-12(6-9(11)13)18(16,17)8-5-3-2-4-7(8)10(14)15/h2-5H,6H2,1H3,(H2,11,13)(H,14,15)
InChIKeyFVFMHSNUOGOCLU-UHFFFAOYSA-N
XLogP-0.51
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319
2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 79390718
2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 55140299
2-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzoic acid
CID 81059803
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
3-amino-4-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 81471119
2-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]benzoic acid
CID 60951029
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
3-[(2-amino-2-oxoethyl)-methylsulfamoyl]-4-ethylbenzoic acid
CID 43374042
3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]-2-methylbenzoic acid
CID 63742310
2-[(2-amino-2-oxoethyl)-(2-carbamothioylphenyl)sulfonylamino]acetamide
CID 62921929
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid (CID 43374078) is 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid is CN(CC(N)=O)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid?
The InChIKey is FVFMHSNUOGOCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-12(6-9(11)13)18(16,17)8-5-3-2-4-7(8)10(14)15/h2-5H,6H2,1H3,(H2,11,13)(H,14,15).
What are the key properties of 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid?
2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid has a molecular weight of 272.28 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid is sourced from PubChem (CID 43374078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).