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

C20H12ClF2N3O3S — CID 24852805

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

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

N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-difluorobenzenesulfonamide (PubChem CID 24852805) 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)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-difluorobenzenesulfonamide
PubChem CID24852805
Molecular FormulaC20H12ClF2N3O3S
Molecular Weight447.85 g/mol
Exact Mass447.03
IUPAC NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H12ClF2N3O3S/c21-16-8-13(26-30(27,28)15-5-6-17(22)18(23)9-15)10-25-20(16)29-14-7-12-3-1-2-4-19(12)24-11-14/h1-11,26H
InChIKeyXAXFAGJYAZYRDM-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-difluorobenzenesulfonamide (CID 24852805) is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is XAXFAGJYAZYRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N3O3S/c21-16-8-13(26-30(27,28)15-5-6-17(22)18(23)9-15)10-25-20(16)29-14-7-12-3-1-2-4-19(12)24-11-14/h1-11,26H.
What are the key properties of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-difluorobenzenesulfonamide?
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3,4-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)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 24852805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).