5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide

C19H14N4O2S — CID 25121265

IUPAC5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C19H14N4O2S/c20-26(24,25)16-9-15(11-22-12-16)14-1-2-19-18(10-14)17(5-8-23-19)13-3-6-21-7-4-13/h1-12H,(H2,20,24,25)
InChIKeyKYJNKBNDLCXFLA-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.01
Rot. Bonds3

About 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide

5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (PubChem CID 25121265) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
PubChem CID25121265
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C19H14N4O2S/c20-26(24,25)16-9-15(11-22-12-16)14-1-2-19-18(10-14)17(5-8-23-19)13-3-6-21-7-4-13/h1-12H,(H2,20,24,25)
InChIKeyKYJNKBNDLCXFLA-UHFFFAOYSA-N
XLogP3.01
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (CID 25121265) is 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is NS(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1.
What is the InChIKey of 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The InChIKey is KYJNKBNDLCXFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c20-26(24,25)16-9-15(11-22-12-16)14-1-2-19-18(10-14)17(5-8-23-19)13-3-6-21-7-4-13/h1-12H,(H2,20,24,25).
What are the key properties of 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide has a molecular weight of 362.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 25121265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).