2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid

C11H14N2O5S — CID 2456563

IUPAC2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C11H14N2O5S/c1-13(2)19(17,18)9-5-3-4-8(6-9)11(16)12-7-10(14)15/h3-6H,7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFMVKPAMZUGITEG-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.25
Rot. Bonds5

About 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid

2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid (PubChem CID 2456563) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
PubChem CID2456563
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C11H14N2O5S/c1-13(2)19(17,18)9-5-3-4-8(6-9)11(16)12-7-10(14)15/h3-6H,7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFMVKPAMZUGITEG-UHFFFAOYSA-N
XLogP-0.25
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
CID 55483864
3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
CID 110355133
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18289694
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid (CID 2456563) is 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid is CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid?
The InChIKey is FMVKPAMZUGITEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-13(2)19(17,18)9-5-3-4-8(6-9)11(16)12-7-10(14)15/h3-6H,7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid?
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid has a molecular weight of 286.31 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 2456563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).