2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate

C11H13N2O5S- — CID 2456562

IUPAC2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
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)/p-1
InChIKeyFMVKPAMZUGITEG-UHFFFAOYSA-M
MW285.30 g/mol
LogP-1.58
Rot. Bonds5

About 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate

2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 2456562) has the molecular formula C11H13N2O5S- and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
PubChem CID2456562
Molecular FormulaC11H13N2O5S-
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
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)/p-1
InChIKeyFMVKPAMZUGITEG-UHFFFAOYSA-M
XLogP-1.58
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
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
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18289694
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 24544650
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 24548643
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
CID 55483864
3-(dimethylsulfamoyl)-N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30873014

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate (CID 2456562) is 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate is CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)[O-])c1.
What is the InChIKey of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is FMVKPAMZUGITEG-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate?
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 285.30 g/mol, XLogP of -1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 2456562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).