4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C11H14N2O5S — CID 43214879

IUPAC4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1C
InChIInChI=1S/C11H14N2O5S/c1-7-3-4-8(11(15)16)5-9(7)19(17,18)13-6-10(14)12-2/h3-5,13H,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyVFHZRFLVZIZBQG-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.28
Rot. Bonds5

About 4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 43214879) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID43214879
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1C
InChIInChI=1S/C11H14N2O5S/c1-7-3-4-8(11(15)16)5-9(7)19(17,18)13-6-10(14)12-2/h3-5,13H,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyVFHZRFLVZIZBQG-UHFFFAOYSA-N
XLogP-0.28
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-4-methylbenzoic acid
CID 43214883
3-(5-hydroxypentylsulfamoyl)-4-methylbenzoic acid
CID 107316564
4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 29043972
3-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 106275642
4-methyl-3-(octylsulfamoyl)benzoic acid
CID 100820248
3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]-4-methylbenzoic acid
CID 106244678
3-(hydrazinesulfonyl)-4-methylbenzoic acid
CID 12639642
4-methyl-3-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642723
4-methyl-3-[methyl-[3-(methylamino)-3-oxopropyl]sulfamoyl]benzoic acid
CID 104654629
4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
CID 9164619
3,4-dimethyl-5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]benzoic acid
CID 61067603

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 43214879) is 4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CNC(=O)CNS(=O)(=O)c1cc(C(=O)O)ccc1C.
What is the InChIKey of 4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is VFHZRFLVZIZBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-7-3-4-8(11(15)16)5-9(7)19(17,18)13-6-10(14)12-2/h3-5,13H,6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 43214879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).