4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid

C14H22N2O4S — CID 29293310

IUPAC4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(2,10-16(3)4)9-15-21(19,20)12-7-5-11(6-8-12)13(17)18/h5-8,15H,9-10H2,1-4H3,(H,17,18)
InChIKeyAMWGDNNLBWSSIH-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.25
Rot. Bonds7

About 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid

4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid (PubChem CID 29293310) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
PubChem CID29293310
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(2,10-16(3)4)9-15-21(19,20)12-7-5-11(6-8-12)13(17)18/h5-8,15H,9-10H2,1-4H3,(H,17,18)
InChIKeyAMWGDNNLBWSSIH-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]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

N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide
CID 107442691
6-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 63872779
4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 2096189
4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 4264715
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61062567
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
CID 103838120
4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 3695989
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid (CID 29293310) is 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid is CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid?
The InChIKey is AMWGDNNLBWSSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2,10-16(3)4)9-15-21(19,20)12-7-5-11(6-8-12)13(17)18/h5-8,15H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid?
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 29293310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).