N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C27H20F2N4O3S — CID 66800530

IUPACN-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)c(-c4ccccc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H20F2N4O3S/c1-36-27-24(33-37(34,35)25-10-8-20(28)14-22(25)29)13-19(15-31-27)17-7-9-23-18(11-17)12-21(26(30)32-23)16-5-3-2-4-6-16/h2-15,33H,1H3,(H2,30,32)
InChIKeyISKUKBKBISOCEK-UHFFFAOYSA-N
MW518.55 g/mol
LogP5.63
Rot. Bonds6

About N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 66800530) has the molecular formula C27H20F2N4O3S and a molecular weight of 518.55 g/mol. Its IUPAC name is N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID66800530
Molecular FormulaC27H20F2N4O3S
Molecular Weight518.55 g/mol
Exact Mass518.12
IUPAC NameN-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)c(-c4ccccc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H20F2N4O3S/c1-36-27-24(33-37(34,35)25-10-8-20(28)14-22(25)29)13-19(15-31-27)17-7-9-23-18(11-17)12-21(26(30)32-23)16-5-3-2-4-6-16/h2-15,33H,1H3,(H2,30,32)
InChIKeyISKUKBKBISOCEK-UHFFFAOYSA-N
XLogP5.63
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.55
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 66800530) is N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2ccc3nc(N)c(-c4ccccc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is ISKUKBKBISOCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O3S/c1-36-27-24(33-37(34,35)25-10-8-20(28)14-22(25)29)13-19(15-31-27)17-7-9-23-18(11-17)12-21(26(30)32-23)16-5-3-2-4-6-16/h2-15,33H,1H3,(H2,30,32).
What are the key properties of N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 518.55 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-3-phenylquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 66800530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).