2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide

C15H26N2O3S — CID 79378942

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCCN(CC(C)(C)O)c1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C15H26N2O3S/c1-6-17(11-15(4,5)18)13-9-7-8-10-14(13)21(19,20)16-12(2)3/h7-10,12,16,18H,6,11H2,1-5H3
InChIKeyMZVJJLSTVCWQFR-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.97
Rot. Bonds7

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 79378942) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID79378942
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCCN(CC(C)(C)O)c1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C15H26N2O3S/c1-6-17(11-15(4,5)18)13-9-7-8-10-14(13)21(19,20)16-12(2)3/h7-10,12,16,18H,6,11H2,1-5H3
InChIKeyMZVJJLSTVCWQFR-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide 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-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
CID 79389694
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 79389604
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62006228
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62007153
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide
CID 79390626
3-[N-ethyl-2-(ethylsulfamoyl)anilino]-2-methylpropanoic acid
CID 62852400
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarbothioamide
CID 79379095

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide (CID 79378942) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide is CCN(CC(C)(C)O)c1ccccc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is MZVJJLSTVCWQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-17(11-15(4,5)18)13-9-7-8-10-14(13)21(19,20)16-12(2)3/h7-10,12,16,18H,6,11H2,1-5H3.
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 79378942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).