N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide

C21H17N3O3S — CID 155565369

IUPACN-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
SMILESCOc1cccc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)c1
InChIInChI=1S/C21H17N3O3S/c1-27-16-7-4-6-15(14-16)17-10-11-19(21-18(17)8-5-13-23-21)24-28(25,26)20-9-2-3-12-22-20/h2-14,24H,1H3
InChIKeyABFSHTNUQNENIM-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.11
Rot. Bonds5

About N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide

N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide (PubChem CID 155565369) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
PubChem CID155565369
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
SMILESCOc1cccc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)c1
InChIInChI=1S/C21H17N3O3S/c1-27-16-7-4-6-15(14-16)17-10-11-19(21-18(17)8-5-13-23-21)24-28(25,26)20-9-2-3-12-22-20/h2-14,24H,1H3
InChIKeyABFSHTNUQNENIM-UHFFFAOYSA-N
XLogP4.11
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
The IUPAC name of N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide (CID 155565369) is N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide is COc1cccc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
The InChIKey is ABFSHTNUQNENIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-27-16-7-4-6-15(14-16)17-10-11-19(21-18(17)8-5-13-23-21)24-28(25,26)20-9-2-3-12-22-20/h2-14,24H,1H3.
What are the key properties of N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide has a molecular weight of 391.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 155565369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).