2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide

C12H20N2O3S — CID 79389604

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
SMILESCCN(CC(C)(C)O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O3S/c1-4-14(9-12(2,3)15)10-7-5-6-8-11(10)18(13,16)17/h5-8,15H,4,9H2,1-3H3,(H2,13,16,17)
InChIKeyGOCVDGIOIRGBEX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.93
Rot. Bonds5

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide (PubChem CID 79389604) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
PubChem CID79389604
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
SMILESCCN(CC(C)(C)O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O3S/c1-4-14(9-12(2,3)15)10-7-5-6-8-11(10)18(13,16)17/h5-8,15H,4,9H2,1-3H3,(H2,13,16,17)
InChIKeyGOCVDGIOIRGBEX-UHFFFAOYSA-N
XLogP0.93
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
CID 79389694
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 79378942
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarbothioamide
CID 79379095
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-nitrobenzenesulfonamide
CID 133313173
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N,N-dimethylbenzenesulfonamide
CID 79665643
1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79381958
ethyl 2-(N-propyl-2-sulfamoylanilino)acetate
CID 62007209

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide (CID 79389604) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide is CCN(CC(C)(C)O)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
The InChIKey is GOCVDGIOIRGBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-14(9-12(2,3)15)10-7-5-6-8-11(10)18(13,16)17/h5-8,15H,4,9H2,1-3H3,(H2,13,16,17).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.93, 5 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]benzenesulfonamide is sourced from PubChem (CID 79389604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).