2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide

C14H23NO3S — CID 82724737

IUPAC2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NOC(C)(C)C)c1C
InChIInChI=1S/C14H23NO3S/c1-9-8-10(2)12(4)13(11(9)3)19(16,17)15-18-14(5,6)7/h8,15H,1-7H3
InChIKeyTUMLRJUFRYMODR-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.93
Rot. Bonds3

About 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide

2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide (PubChem CID 82724737) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
PubChem CID82724737
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NOC(C)(C)C)c1C
InChIInChI=1S/C14H23NO3S/c1-9-8-10(2)12(4)13(11(9)3)19(16,17)15-18-14(5,6)7/h8,15H,1-7H3
InChIKeyTUMLRJUFRYMODR-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide (CID 82724737) is 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NOC(C)(C)C)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The InChIKey is TUMLRJUFRYMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-9-8-10(2)12(4)13(11(9)3)19(16,17)15-18-14(5,6)7/h8,15H,1-7H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide is sourced from PubChem (CID 82724737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).