N-tert-butyl-2-formylbenzenesulfonamide

C11H15NO3S — CID 86176513

IUPACN-tert-butyl-2-formylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1C=O
InChIInChI=1S/C11H15NO3S/c1-11(2,3)12-16(14,15)10-7-5-4-6-9(10)8-13/h4-8,12H,1-3H3
InChIKeyHWGAMVQZOWQLDL-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.58
Rot. Bonds3

About N-tert-butyl-2-formylbenzenesulfonamide

N-tert-butyl-2-formylbenzenesulfonamide (PubChem CID 86176513) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-tert-butyl-2-formylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-formylbenzenesulfonamide
PubChem CID86176513
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-tert-butyl-2-formylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1C=O
InChIInChI=1S/C11H15NO3S/c1-11(2,3)12-16(14,15)10-7-5-4-6-9(10)8-13/h4-8,12H,1-3H3
InChIKeyHWGAMVQZOWQLDL-UHFFFAOYSA-N
XLogP1.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-formylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-2-formylbenzenesulfonamide (CID 86176513) is N-tert-butyl-2-formylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-formylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-formylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1C=O.
What is the InChIKey of N-tert-butyl-2-formylbenzenesulfonamide?
The InChIKey is HWGAMVQZOWQLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(2,3)12-16(14,15)10-7-5-4-6-9(10)8-13/h4-8,12H,1-3H3.
What are the key properties of N-tert-butyl-2-formylbenzenesulfonamide?
N-tert-butyl-2-formylbenzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-formylbenzenesulfonamide is sourced from PubChem (CID 86176513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).