3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide

C27H22N4O4S — CID 59860200

IUPAC3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nccc(-c5ccncc5)c4c3)c2)cc1OC
InChIInChI=1S/C27H22N4O4S/c1-34-26-6-4-22(15-27(26)35-2)36(32,33)31-21-13-20(16-29-17-21)19-3-5-25-24(14-19)23(9-12-30-25)18-7-10-28-11-8-18/h3-17,31H,1-2H3
InChIKeyDUAALYYQJXWEIN-UHFFFAOYSA-N
MW498.56 g/mol
LogP5.18
Rot. Bonds7

About 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide

3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 59860200) has the molecular formula C27H22N4O4S and a molecular weight of 498.56 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID59860200
Molecular FormulaC27H22N4O4S
Molecular Weight498.56 g/mol
Exact Mass498.14
IUPAC Name3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nccc(-c5ccncc5)c4c3)c2)cc1OC
InChIInChI=1S/C27H22N4O4S/c1-34-26-6-4-22(15-27(26)35-2)36(32,33)31-21-13-20(16-29-17-21)19-3-5-25-24(14-19)23(9-12-30-25)18-7-10-28-11-8-18/h3-17,31H,1-2H3
InChIKeyDUAALYYQJXWEIN-UHFFFAOYSA-N
XLogP5.18
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.56
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 59860013
2,3-dimethyl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]imidazole-4-sulfonamide
CID 59859999
6-morpholin-4-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 59859945
5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 25121265
2-amino-N-pyridin-4-yl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860011
N,N-diethyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860014
N-methyl-N-phenyl-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860008
2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860044
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 11566395
4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide
CID 6471140
N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 59406555

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 59860200) is 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nccc(-c5ccncc5)c4c3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is DUAALYYQJXWEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4S/c1-34-26-6-4-22(15-27(26)35-2)36(32,33)31-21-13-20(16-29-17-21)19-3-5-25-24(14-19)23(9-12-30-25)18-7-10-28-11-8-18/h3-17,31H,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide?
3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 498.56 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59860200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).