2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide

C14H25N3O2S — CID 43454463

IUPAC2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)CCNc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-17(6-2)12-11-15-13-9-7-8-10-14(13)20(18,19)16(3)4/h7-10,15H,5-6,11-12H2,1-4H3
InChIKeySCPDJPUDVMIYQV-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.69
Rot. Bonds8

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

2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 43454463) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID43454463
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CC)CCNc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-17(6-2)12-11-15-13-9-7-8-10-14(13)20(18,19)16(3)4/h7-10,15H,5-6,11-12H2,1-4H3
InChIKeySCPDJPUDVMIYQV-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide
CID 43454301
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one;dihydrochloride
CID 138398310
2-(2-cyclopentylethylamino)-N,N-dimethylbenzenesulfonamide
CID 60920166
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 55084058
2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62639985
N-[2-(dimethylamino)ethyl]-N-methyl-2-(propylamino)benzenesulfonamide
CID 63726361
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide (CID 43454463) is 2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide is CCN(CC)CCNc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is SCPDJPUDVMIYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-17(6-2)12-11-15-13-9-7-8-10-14(13)20(18,19)16(3)4/h7-10,15H,5-6,11-12H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide?
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43454463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).