2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide

C12H20N2O3S — CID 79390626

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N(C)CC(C)(C)O
InChIInChI=1S/C12H20N2O3S/c1-12(2,15)9-14(4)10-7-5-6-8-11(10)18(16,17)13-3/h5-8,13,15H,9H2,1-4H3
InChIKeyHWTDFGNISIHZPT-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.80
Rot. Bonds5

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide (PubChem CID 79390626) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide
PubChem CID79390626
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N(C)CC(C)(C)O
InChIInChI=1S/C12H20N2O3S/c1-12(2,15)9-14(4)10-7-5-6-8-11(10)18(16,17)13-3/h5-8,13,15H,9H2,1-4H3
InChIKeyHWTDFGNISIHZPT-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide (CID 79390626) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1N(C)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide?
The InChIKey is HWTDFGNISIHZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(2,15)9-14(4)10-7-5-6-8-11(10)18(16,17)13-3/h5-8,13,15H,9H2,1-4H3.
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 79390626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).