4-[3-(dimethylamino)propylamino]benzenesulfonamide

C11H19N3O2S — CID 23290121

IUPAC4-[3-(dimethylamino)propylamino]benzenesulfonamide
SMILESCN(C)CCCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H19N3O2S/c1-14(2)9-3-8-13-10-4-6-11(7-5-10)17(12,15)16/h4-7,13H,3,8-9H2,1-2H3,(H2,12,15,16)
InChIKeyZBXOOXGDXQPIRF-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.70
Rot. Bonds6

About 4-[3-(dimethylamino)propylamino]benzenesulfonamide

4-[3-(dimethylamino)propylamino]benzenesulfonamide (PubChem CID 23290121) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]benzenesulfonamide
PubChem CID23290121
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-[3-(dimethylamino)propylamino]benzenesulfonamide
SMILESCN(C)CCCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H19N3O2S/c1-14(2)9-3-8-13-10-4-6-11(7-5-10)17(12,15)16/h4-7,13H,3,8-9H2,1-2H3,(H2,12,15,16)
InChIKeyZBXOOXGDXQPIRF-UHFFFAOYSA-N
XLogP0.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(dimethylamino)propylamino]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

4-[3-(dimethylamino)propylamino]-N-methylbenzenesulfonamide
CID 43383354
4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
4-tert-butyl-N-[4-[3-(dimethylamino)propylamino]phenyl]benzenesulfonamide
CID 112981608
2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
CID 79467510
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide
CID 106306869
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
CID 43599575
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
N',N'-dimethyl-N-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 114525043
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]benzenesulfonamide?
The IUPAC name of 4-[3-(dimethylamino)propylamino]benzenesulfonamide (CID 23290121) is 4-[3-(dimethylamino)propylamino]benzenesulfonamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]benzenesulfonamide?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]benzenesulfonamide is CN(C)CCCNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]benzenesulfonamide?
The InChIKey is ZBXOOXGDXQPIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-14(2)9-3-8-13-10-4-6-11(7-5-10)17(12,15)16/h4-7,13H,3,8-9H2,1-2H3,(H2,12,15,16).
What are the key properties of 4-[3-(dimethylamino)propylamino]benzenesulfonamide?
4-[3-(dimethylamino)propylamino]benzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]benzenesulfonamide is sourced from PubChem (CID 23290121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).