N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide

C20H15F7N2O4S — CID 22203469

IUPACN-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1)c1cccc2cccnc12
InChIInChI=1S/C20H15F7N2O4S/c21-18(22)19(23,24)10-32-14-7-13(8-15(9-14)33-11-20(25,26)27)29-34(30,31)16-5-1-3-12-4-2-6-28-17(12)16/h1-9,18,29H,10-11H2
InChIKeyVXLGOSJPPGOYAU-UHFFFAOYSA-N
MW512.40 g/mol
LogP5.26
Rot. Bonds9

About N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide

N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide (PubChem CID 22203469) has the molecular formula C20H15F7N2O4S and a molecular weight of 512.40 g/mol. Its IUPAC name is N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide
PubChem CID22203469
Molecular FormulaC20H15F7N2O4S
Molecular Weight512.40 g/mol
Exact Mass512.06
IUPAC NameN-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1)c1cccc2cccnc12
InChIInChI=1S/C20H15F7N2O4S/c21-18(22)19(23,24)10-32-14-7-13(8-15(9-14)33-11-20(25,26)27)29-34(30,31)16-5-1-3-12-4-2-6-28-17(12)16/h1-9,18,29H,10-11H2
InChIKeyVXLGOSJPPGOYAU-UHFFFAOYSA-N
XLogP5.26
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.40
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 22203437
4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 22203483
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide
CID 22203475
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide
CID 5299496
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-2,4,5-trichlorobenzenesulfonamide
CID 22203529
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide (CID 22203469) is N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide is O=S(=O)(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1)c1cccc2cccnc12.
What is the InChIKey of N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide?
The InChIKey is VXLGOSJPPGOYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F7N2O4S/c21-18(22)19(23,24)10-32-14-7-13(8-15(9-14)33-11-20(25,26)27)29-34(30,31)16-5-1-3-12-4-2-6-28-17(12)16/h1-9,18,29H,10-11H2.
What are the key properties of N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide?
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide has a molecular weight of 512.40 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 22203469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).