2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide

C14H26N4O2S — CID 79466499

IUPAC2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide
SMILESCC(C)CN(CCN(C)C)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C14H26N4O2S/c1-11(2)10-18(8-7-17(3)4)12-5-6-14(13(15)9-12)21(16,19)20/h5-6,9,11H,7-8,10,15H2,1-4H3,(H2,16,19,20)
InChIKeyBPNYNLOVBLFKRM-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.94
Rot. Bonds7

About 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide

2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide (PubChem CID 79466499) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide
PubChem CID79466499
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide
SMILESCC(C)CN(CCN(C)C)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C14H26N4O2S/c1-11(2)10-18(8-7-17(3)4)12-5-6-14(13(15)9-12)21(16,19)20/h5-6,9,11H,7-8,10,15H2,1-4H3,(H2,16,19,20)
InChIKeyBPNYNLOVBLFKRM-UHFFFAOYSA-N
XLogP0.94
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide
CID 79466432
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzoic acid
CID 104500469
2-amino-4-[2-methylpropyl(pentan-3-yl)amino]benzenesulfonamide
CID 79490684
2-amino-4-(diethylamino)benzenesulfonamide
CID 79460140
2-amino-4-[ethyl(propyl)amino]benzenesulfonamide
CID 79466974
2-amino-4-(dimethylamino)benzenesulfonamide
CID 79466326
2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 79466601
2-(3-amino-N-ethyl-4-sulfamoylanilino)acetamide
CID 103101163
2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
CID 79467510
2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide
CID 79466847
2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide
CID 107279228
2-amino-4-(3-methylbutylsulfanyl)benzenesulfonamide
CID 107748086

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide (CID 79466499) is 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide is CC(C)CN(CCN(C)C)c1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide?
The InChIKey is BPNYNLOVBLFKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-11(2)10-18(8-7-17(3)4)12-5-6-14(13(15)9-12)21(16,19)20/h5-6,9,11H,7-8,10,15H2,1-4H3,(H2,16,19,20).
What are the key properties of 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide?
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide has a molecular weight of 314.46 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 79466499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).