2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide

C18H18N2O2S — CID 739450

IUPAC2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc3cccnc23)c(C)c1
InChIInChI=1S/C18H18N2O2S/c1-12-10-13(2)18(14(3)11-12)23(21,22)20-16-8-4-6-15-7-5-9-19-17(15)16/h4-11,20H,1-3H3
InChIKeyIVESLTHGGMMWTQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.96
Rot. Bonds3

About 2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide

2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 739450) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide
PubChem CID739450
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc3cccnc23)c(C)c1
InChIInChI=1S/C18H18N2O2S/c1-12-10-13(2)18(14(3)11-12)23(21,22)20-16-8-4-6-15-7-5-9-19-17(15)16/h4-11,20H,1-3H3
InChIKeyIVESLTHGGMMWTQ-UHFFFAOYSA-N
XLogP3.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide (CID 739450) is 2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc3cccnc23)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is IVESLTHGGMMWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-10-13(2)18(14(3)11-12)23(21,22)20-16-8-4-6-15-7-5-9-19-17(15)16/h4-11,20H,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide?
2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 739450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).