N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide

C13H21NO3S — CID 79387245

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H21NO3S/c1-4-14(11-13(2,3)15)18(16,17)10-12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKeyPMNUHGGNZYLKRN-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.61
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide (PubChem CID 79387245) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide
PubChem CID79387245
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H21NO3S/c1-4-14(11-13(2,3)15)18(16,17)10-12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKeyPMNUHGGNZYLKRN-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide (CID 79387245) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide?
The InChIKey is PMNUHGGNZYLKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-14(11-13(2,3)15)18(16,17)10-12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 79387245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).