5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide

C17H22N2O3S — CID 6488284

IUPAC5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C17H22N2O3S/c1-5-22-15-7-6-13(17(2,3)4)12-16(15)23(20,21)19-14-8-10-18-11-9-14/h6-12H,5H2,1-4H3,(H,18,19)
InChIKeyUDMBZCGQSVNJEB-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.58
Rot. Bonds5

About 5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide

5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 6488284) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide
PubChem CID6488284
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C17H22N2O3S/c1-5-22-15-7-6-13(17(2,3)4)12-16(15)23(20,21)19-14-8-10-18-11-9-14/h6-12H,5H2,1-4H3,(H,18,19)
InChIKeyUDMBZCGQSVNJEB-UHFFFAOYSA-N
XLogP3.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide (CID 6488284) is 5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide is CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccncc1.
What is the InChIKey of 5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is UDMBZCGQSVNJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-22-15-7-6-13(17(2,3)4)12-16(15)23(20,21)19-14-8-10-18-11-9-14/h6-12H,5H2,1-4H3,(H,18,19).
What are the key properties of 5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide?
5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethoxy-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 6488284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).