4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid

C12H15NO6S — CID 43362585

IUPAC4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid
SMILESCOC(=O)CN(C)S(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H15NO6S/c1-13(7-11(14)19-2)20(17,18)8-9-3-5-10(6-4-9)12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyOSTFNVCTBJEREK-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.32
Rot. Bonds6

About 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid

4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid (PubChem CID 43362585) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid
PubChem CID43362585
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Name4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid
SMILESCOC(=O)CN(C)S(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H15NO6S/c1-13(7-11(14)19-2)20(17,18)8-9-3-5-10(6-4-9)12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyOSTFNVCTBJEREK-UHFFFAOYSA-N
XLogP0.32
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-3-(morpholine-4-sulfonyl)benzoic acid
CID 767897
4-({[(Dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic Acid
CID 49837191
4-(Methylsulfonylsulfanylmethyl)benzoic acid
CID 18517378
4-(1-Sulfamoylethyl)benzoic acid
CID 122199056
Methyl 2-(N-methoxycarbonylmethyl-N-methylsulfamoyl)benzoate
CID 4637503
4-[bis(2-methoxyethyl)sulfamoyl]benzoic Acid
CID 2049566
4-[(2-Hydroxyethyl)(methyl)sulfamoyl]benzoic acid
CID 39870109
4-(Propylsulfonamidomethyl)benzoic acid
CID 8851502
4-[(Aminosulfonyl)methyl]benzoic acid
CID 21795301
4-[[(2S)-1-methoxypropan-2-yl]-methylsulfamoyl]benzoic acid
CID 51890301
4-Fluoro-3-(morpholin-4-ylsulfonylmethyl)benzoic acid
CID 174723341
3-{[(2-Hydroxyethyl)(methyl)amino]sulfonyl}benzoic acid
CID 257470

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid?
The IUPAC name of 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid (CID 43362585) is 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid?
The canonical SMILES for 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid is COC(=O)CN(C)S(=O)(=O)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid?
The InChIKey is OSTFNVCTBJEREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6S/c1-13(7-11(14)19-2)20(17,18)8-9-3-5-10(6-4-9)12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid?
4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid has a molecular weight of 301.32 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid is sourced from PubChem (CID 43362585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).