4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide

C14H26N4O2S — CID 82900124

IUPAC4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)CCNc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C14H26N4O2S/c1-5-18(6-2)10-9-16-14-11-12(7-8-13(14)15)21(19,20)17(3)4/h7-8,11,16H,5-6,9-10,15H2,1-4H3
InChIKeyNCYDPONVEHSOSL-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.27
Rot. Bonds8

About 4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide

4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 82900124) has the molecular formula C14H26N4O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID82900124
Molecular FormulaC14H26N4O2S
Molecular Weight314.45 g/mol
Exact Mass314.18
IUPAC Name4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)CCNc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C14H26N4O2S/c1-5-18(6-2)10-9-16-14-11-12(7-8-13(14)15)21(19,20)17(3)4/h7-8,11,16H,5-6,9-10,15H2,1-4H3
InChIKeyNCYDPONVEHSOSL-UHFFFAOYSA-N
XLogP1.27
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.27
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

4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
CID 82907605
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 82902002
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82902467
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
4-amino-3-(1H-imidazol-2-ylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82901093

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide (CID 82900124) is 4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide is CCN(CC)CCNc1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is NCYDPONVEHSOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-18(6-2)10-9-16-14-11-12(7-8-13(14)15)21(19,20)17(3)4/h7-8,11,16H,5-6,9-10,15H2,1-4H3.
What are the key properties of 4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide?
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82900124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).