2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide

C14H24N2O2S — CID 103462606

IUPAC2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC(C)(C)CC
InChIInChI=1S/C14H24N2O2S/c1-5-14(3,4)11-15-12-9-7-8-10-13(12)19(17,18)16-6-2/h7-10,15-16H,5-6,11H2,1-4H3
InChIKeyDWBIFEFKLRTHPM-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.83
Rot. Bonds7

About 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide

2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide (PubChem CID 103462606) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
PubChem CID103462606
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCC(C)(C)CC
InChIInChI=1S/C14H24N2O2S/c1-5-14(3,4)11-15-12-9-7-8-10-13(12)19(17,18)16-6-2/h7-10,15-16H,5-6,11H2,1-4H3
InChIKeyDWBIFEFKLRTHPM-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide 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

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzenesulfonamide
CID 43454391
2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide
CID 106142885
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103461134
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide
CID 79779402

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide?
The IUPAC name of 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide (CID 103462606) is 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCC(C)(C)CC.
What is the InChIKey of 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide?
The InChIKey is DWBIFEFKLRTHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-14(3,4)11-15-12-9-7-8-10-13(12)19(17,18)16-6-2/h7-10,15-16H,5-6,11H2,1-4H3.
What are the key properties of 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide?
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 103462606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).