2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide

C15H18N2O2S — CID 842946

IUPAC2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cccnc2)c1C
InChIInChI=1S/C15H18N2O2S/c1-10-8-11(2)13(4)15(12(10)3)20(18,19)17-14-6-5-7-16-9-14/h5-9,17H,1-4H3
InChIKeyPGRJFLZRGMDJCU-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.12
Rot. Bonds3

About 2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide

2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 842946) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID842946
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cccnc2)c1C
InChIInChI=1S/C15H18N2O2S/c1-10-8-11(2)13(4)15(12(10)3)20(18,19)17-14-6-5-7-16-9-14/h5-9,17H,1-4H3
InChIKeyPGRJFLZRGMDJCU-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide (CID 842946) is 2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccnc2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is PGRJFLZRGMDJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-8-11(2)13(4)15(12(10)3)20(18,19)17-14-6-5-7-16-9-14/h5-9,17H,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide?
2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 3.12, 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-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 842946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).