N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide

C13H19NO3S — CID 79387591

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C13H19NO3S/c1-13(2,15)11-14(3)18(16,17)10-9-12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3
InChIKeyLSCGOIQPTKRPRE-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.69
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide (PubChem CID 79387591) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide
PubChem CID79387591
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C13H19NO3S/c1-13(2,15)11-14(3)18(16,17)10-9-12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3
InChIKeyLSCGOIQPTKRPRE-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide (CID 79387591) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide is CN(CC(C)(C)O)S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide?
The InChIKey is LSCGOIQPTKRPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2,15)11-14(3)18(16,17)10-9-12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide is sourced from PubChem (CID 79387591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).