4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide

C22H18N2O3S — CID 118873475

IUPAC4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c3cccnc23)cc1
InChIInChI=1S/C22H18N2O3S/c1-27-17-9-11-18(12-10-17)28(25,26)24-21-14-13-19(16-6-3-2-4-7-16)20-8-5-15-23-22(20)21/h2-15,24H,1H3
InChIKeyDUALPFLFAOZWGA-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.71
Rot. Bonds5

About 4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide

4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide (PubChem CID 118873475) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide
PubChem CID118873475
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c3cccnc23)cc1
InChIInChI=1S/C22H18N2O3S/c1-27-17-9-11-18(12-10-17)28(25,26)24-21-14-13-19(16-6-3-2-4-7-16)20-8-5-15-23-22(20)21/h2-15,24H,1H3
InChIKeyDUALPFLFAOZWGA-UHFFFAOYSA-N
XLogP4.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide (CID 118873475) is 4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c3cccnc23)cc1.
What is the InChIKey of 4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide?
The InChIKey is DUALPFLFAOZWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-27-17-9-11-18(12-10-17)28(25,26)24-21-14-13-19(16-6-3-2-4-7-16)20-8-5-15-23-22(20)21/h2-15,24H,1H3.
What are the key properties of 4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide?
4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 118873475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).