3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid

C11H14N2O5S — CID 43709519

IUPAC3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
SMILESCc1c(NS(=O)(=O)CCC(=O)O)cccc1C(N)=O
InChIInChI=1S/C11H14N2O5S/c1-7-8(11(12)16)3-2-4-9(7)13-19(17,18)6-5-10(14)15/h2-4,13H,5-6H2,1H3,(H2,12,16)(H,14,15)
InChIKeyVCXKEKSLSSCISZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.31
Rot. Bonds6

About 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid

3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid (PubChem CID 43709519) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
PubChem CID43709519
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
SMILESCc1c(NS(=O)(=O)CCC(=O)O)cccc1C(N)=O
InChIInChI=1S/C11H14N2O5S/c1-7-8(11(12)16)3-2-4-9(7)13-19(17,18)6-5-10(14)15/h2-4,13H,5-6H2,1H3,(H2,12,16)(H,14,15)
InChIKeyVCXKEKSLSSCISZ-UHFFFAOYSA-N
XLogP0.31
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic 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

3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 43361847
3-(butylsulfonylamino)-2-methylbenzoic acid
CID 62033878
3-(3-chloropropylsulfonylamino)-2-methylbenzoic acid
CID 54877288
2-(butylsulfonylamino)benzamide
CID 17376030
2-(2-phenylethylsulfonylamino)benzamide
CID 110756518
2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 39846063
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088
2-methyl-3-[(2-phenylphenyl)sulfonylamino]benzamide
CID 39846336
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
CID 28969153
3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
CID 43699684
3-[(2-ethylsulfanylphenyl)sulfamoyl]propanoic acid
CID 60933758

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid (CID 43709519) is 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid is Cc1c(NS(=O)(=O)CCC(=O)O)cccc1C(N)=O.
What is the InChIKey of 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid?
The InChIKey is VCXKEKSLSSCISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-7-8(11(12)16)3-2-4-9(7)13-19(17,18)6-5-10(14)15/h2-4,13H,5-6H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid?
3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid has a molecular weight of 286.31 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43709519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).