N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide

C12H19NO3S — CID 786531

IUPACN-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-9-12(2,3)16-4/h5-8,13H,9H2,1-4H3
InChIKeyDLVQVJAKTAHDGQ-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.70
Rot. Bonds5

About N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide

N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 786531) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID786531
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-9-12(2,3)16-4/h5-8,13H,9H2,1-4H3
InChIKeyDLVQVJAKTAHDGQ-UHFFFAOYSA-N
XLogP1.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 786531) is N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide is COC(C)(C)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is DLVQVJAKTAHDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-9-12(2,3)16-4/h5-8,13H,9H2,1-4H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 786531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).