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

C15H18N2O2S — CID 726556

IUPAC4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)12-7-9-13(10-8-12)20(18,19)17-14-6-4-5-11-16-14/h4-11H,1-3H3,(H,16,17)
InChIKeyJIMHYKLVPNWNCI-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.18
Rot. Bonds3

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

4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 726556) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID726556
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)12-7-9-13(10-8-12)20(18,19)17-14-6-4-5-11-16-14/h4-11H,1-3H3,(H,16,17)
InChIKeyJIMHYKLVPNWNCI-UHFFFAOYSA-N
XLogP3.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide (CID 726556) is 4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is JIMHYKLVPNWNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2,3)12-7-9-13(10-8-12)20(18,19)17-14-6-4-5-11-16-14/h4-11H,1-3H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide?
4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 726556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).