N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide

C23H17F2N3O4S — CID 24990825

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2nc(Nc3cccc4c3OCCO4)ccc12)c1cc(F)cc(F)c1
InChIInChI=1S/C23H17F2N3O4S/c24-14-11-15(25)13-16(12-14)33(29,30)28-19-4-1-3-18-17(19)7-8-22(26-18)27-20-5-2-6-21-23(20)32-10-9-31-21/h1-8,11-13,28H,9-10H2,(H,26,27)
InChIKeyRTWGVAXEAWIZLF-UHFFFAOYSA-N
MW469.47 g/mol
LogP4.83
Rot. Bonds5

About N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide

N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide (PubChem CID 24990825) has the molecular formula C23H17F2N3O4S and a molecular weight of 469.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide
PubChem CID24990825
Molecular FormulaC23H17F2N3O4S
Molecular Weight469.47 g/mol
Exact Mass469.09
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2nc(Nc3cccc4c3OCCO4)ccc12)c1cc(F)cc(F)c1
InChIInChI=1S/C23H17F2N3O4S/c24-14-11-15(25)13-16(12-14)33(29,30)28-19-4-1-3-18-17(19)7-8-22(26-18)27-20-5-2-6-21-23(20)32-10-9-31-21/h1-8,11-13,28H,9-10H2,(H,26,27)
InChIKeyRTWGVAXEAWIZLF-UHFFFAOYSA-N
XLogP4.83
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide with MolForge

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Related Compounds

3-fluoro-N-[2-[(5-methylfuran-2-yl)methylamino]quinolin-5-yl]benzenesulfonamide
CID 24988237
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-difluorobenzenesulfonamide
CID 39876899
3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 59533991
N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
CID 26952276
3-[4-(2,3-dihydro-1,4-benzodioxin-5-ylsulfamoyl)phenyl]propanoic acid
CID 56797703
3,4,5-trifluoro-N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-5-yl]benzenesulfonamide
CID 25019064
3,4,5-trifluoro-N-[2-[(7-methoxy-2,3-dihydro-1H-inden-1-yl)amino]quinolin-5-yl]benzenesulfonamide
CID 25019062
N-(2,3-dichlorophenyl)-3,5-difluorobenzenesulfonamide
CID 92510677
N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398648
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide
CID 17477626
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 43550629
3,5-difluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 17442409

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide (CID 24990825) is N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide is O=S(=O)(Nc1cccc2nc(Nc3cccc4c3OCCO4)ccc12)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide?
The InChIKey is RTWGVAXEAWIZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O4S/c24-14-11-15(25)13-16(12-14)33(29,30)28-19-4-1-3-18-17(19)7-8-22(26-18)27-20-5-2-6-21-23(20)32-10-9-31-21/h1-8,11-13,28H,9-10H2,(H,26,27).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide has a molecular weight of 469.47 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 24990825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).