3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide

C13H20Cl2N2O2S — CID 2100240

IUPAC3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O2S/c1-13(2,9-17(3)4)8-16-20(18,19)10-5-6-11(14)12(15)7-10/h5-7,16H,8-9H2,1-4H3
InChIKeyTZPYFSIWPKZFSP-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.86
Rot. Bonds6

About 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide

3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide (PubChem CID 2100240) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
PubChem CID2100240
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O2S/c1-13(2,9-17(3)4)8-16-20(18,19)10-5-6-11(14)12(15)7-10/h5-7,16H,8-9H2,1-4H3
InChIKeyTZPYFSIWPKZFSP-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide 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

Benzenesulfonamide, p-chloro-N-(2-diethylaminoethyl)-
CID 208542
3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
CID 10715573
3,4-dichloro-N,N-dimethylbenzenesulfonamide
CID 4176410
N1-[(dimethylamino)methylidene]-3,4-dichlorobenzene-1-sulfonamide
CID 9583476
2,5-dichloro-N-[3-(dimethylamino)-2-methylpropyl]benzenesulfonamide
CID 2953957
4-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]benzenesulfonamide
CID 2998755
[3-[(2,3-Dichlorophenyl)sulfonylamino]-2,2-dimethylpropyl]-dimethylazanium chloride
CID 9551953
[3-[(3,4-Dichlorophenyl)sulfonylamino]-2,2-dimethylpropyl]-dimethylazanium chloride
CID 16196391
1-(3,4-Dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane;hydrochloride
CID 16196849
1-(2,3-Dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane;hydrochloride
CID 16196895
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide;hydrochloride
CID 16196281
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,3,4-trichlorobenzenesulfonamide
CID 10275391

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide (CID 2100240) is 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The InChIKey is TZPYFSIWPKZFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S/c1-13(2,9-17(3)4)8-16-20(18,19)10-5-6-11(14)12(15)7-10/h5-7,16H,8-9H2,1-4H3.
What are the key properties of 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide has a molecular weight of 339.29 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide is sourced from PubChem (CID 2100240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).