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

C26H20N4O2S — CID 59860008

IUPACN-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C26H20N4O2S/c1-30(22-5-3-2-4-6-22)33(31,32)23-15-21(17-28-18-23)20-7-8-26-25(16-20)24(11-14-29-26)19-9-12-27-13-10-19/h2-18H,1H3
InChIKeyWHBPLLSYKCLBKA-UHFFFAOYSA-N
MW452.54 g/mol
LogP5.18
Rot. Bonds5

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

N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (PubChem CID 59860008) has the molecular formula C26H20N4O2S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
PubChem CID59860008
Molecular FormulaC26H20N4O2S
Molecular Weight452.54 g/mol
Exact Mass452.13
IUPAC NameN-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C26H20N4O2S/c1-30(22-5-3-2-4-6-22)33(31,32)23-15-21(17-28-18-23)20-7-8-26-25(16-20)24(11-14-29-26)19-9-12-27-13-10-19/h2-18H,1H3
InChIKeyWHBPLLSYKCLBKA-UHFFFAOYSA-N
XLogP5.18
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.54
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide (CID 59860008) is N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1cncc(-c2ccc3nccc(-c4ccncc4)c3c2)c1.
What is the InChIKey of N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
The InChIKey is WHBPLLSYKCLBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2S/c1-30(22-5-3-2-4-6-22)33(31,32)23-15-21(17-28-18-23)20-7-8-26-25(16-20)24(11-14-29-26)19-9-12-27-13-10-19/h2-18H,1H3.
What are the key properties of N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide?
N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide has a molecular weight of 452.54 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 59860008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).