2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide

C17H16N2O4S — CID 2931238

IUPAC2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C17H16N2O4S/c1-22-14-7-8-16(23-2)17(10-14)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3
InChIKeyJZSPHTPWUXNQGB-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.05
Rot. Bonds5

About 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide

2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 2931238) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
PubChem CID2931238
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C17H16N2O4S/c1-22-14-7-8-16(23-2)17(10-14)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3
InChIKeyJZSPHTPWUXNQGB-UHFFFAOYSA-N
XLogP3.05
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide (CID 2931238) is 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is JZSPHTPWUXNQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-22-14-7-8-16(23-2)17(10-14)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3.
What are the key properties of 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide?
2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 2931238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).