N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide

C20H12ClF2N3O3S — CID 24852802

IUPACN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C20H12ClF2N3O3S/c21-16-9-14(26-30(27,28)19-6-5-13(22)8-17(19)23)10-25-20(16)29-15-7-12-3-1-2-4-18(12)24-11-15/h1-11,26H
InChIKeyZQDAOFZWMRGACM-UHFFFAOYSA-N
MW447.85 g/mol
LogP5.15
Rot. Bonds5

About N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide

N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide (PubChem CID 24852802) has the molecular formula C20H12ClF2N3O3S and a molecular weight of 447.85 g/mol. Its IUPAC name is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
PubChem CID24852802
Molecular FormulaC20H12ClF2N3O3S
Molecular Weight447.85 g/mol
Exact Mass447.03
IUPAC NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C20H12ClF2N3O3S/c21-16-9-14(26-30(27,28)19-6-5-13(22)8-17(19)23)10-25-20(16)29-15-7-12-3-1-2-4-18(12)24-11-15/h1-11,26H
InChIKeyZQDAOFZWMRGACM-UHFFFAOYSA-N
XLogP5.15
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.85
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-6-quinolin-3-yloxy-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-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide (CID 24852802) is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(F)cc1F.
What is the InChIKey of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is ZQDAOFZWMRGACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N3O3S/c21-16-9-14(26-30(27,28)19-6-5-13(22)8-17(19)23)10-25-20(16)29-15-7-12-3-1-2-4-18(12)24-11-15/h1-11,26H.
What are the key properties of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 447.85 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 24852802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).