3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid

C11H16N2O6S2 — CID 43361776

IUPAC3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid
SMILESCN(C)S(=O)(=O)c1cccc(NS(=O)(=O)CCC(=O)O)c1
InChIInChI=1S/C11H16N2O6S2/c1-13(2)21(18,19)10-5-3-4-9(8-10)12-20(16,17)7-6-11(14)15/h3-5,8,12H,6-7H2,1-2H3,(H,14,15)
InChIKeyGIILOUMOAKLDRX-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.15
Rot. Bonds7

About 3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid

3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid (PubChem CID 43361776) has the molecular formula C11H16N2O6S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid
PubChem CID43361776
Molecular FormulaC11H16N2O6S2
Molecular Weight336.39 g/mol
Exact Mass336.04
IUPAC Name3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid
SMILESCN(C)S(=O)(=O)c1cccc(NS(=O)(=O)CCC(=O)O)c1
InChIInChI=1S/C11H16N2O6S2/c1-13(2)21(18,19)10-5-3-4-9(8-10)12-20(16,17)7-6-11(14)15/h3-5,8,12H,6-7H2,1-2H3,(H,14,15)
InChIKeyGIILOUMOAKLDRX-UHFFFAOYSA-N
XLogP0.15
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(dimethylsulfamoyl)phenyl]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-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
CID 63254571
3-[[3-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]propanoic acid
CID 43711796
N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 63000001
methyl 3-[(3-sulfamoylphenyl)sulfamoyl]propanoate
CID 60675335
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
CID 110299349
3-[(3,4-dicyanophenyl)sulfamoyl]propanoic acid
CID 114001558
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid (CID 43361776) is 3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid is CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)CCC(=O)O)c1.
What is the InChIKey of 3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid?
The InChIKey is GIILOUMOAKLDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S2/c1-13(2)21(18,19)10-5-3-4-9(8-10)12-20(16,17)7-6-11(14)15/h3-5,8,12H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid?
3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid has a molecular weight of 336.39 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43361776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).