N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

C21H13ClF3N3O3S — CID 71454897

IUPACN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13ClF3N3O3S/c22-18-10-15(28-32(29,30)17-6-3-5-14(9-17)21(23,24)25)11-27-20(18)31-16-8-13-4-1-2-7-19(13)26-12-16/h1-12,28H
InChIKeyWKWSSTMCQDWAMK-UHFFFAOYSA-N
MW479.87 g/mol
LogP5.90
Rot. Bonds5

About N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71454897) has the molecular formula C21H13ClF3N3O3S and a molecular weight of 479.87 g/mol. Its IUPAC name is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71454897
Molecular FormulaC21H13ClF3N3O3S
Molecular Weight479.87 g/mol
Exact Mass479.03
IUPAC NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13ClF3N3O3S/c22-18-10-15(28-32(29,30)17-6-3-5-14(9-17)21(23,24)25)11-27-20(18)31-16-8-13-4-1-2-7-19(13)26-12-16/h1-12,28H
InChIKeyWKWSSTMCQDWAMK-UHFFFAOYSA-N
XLogP5.90
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.87
LogP ≤ 55.90
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-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (CID 71454897) is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WKWSSTMCQDWAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N3O3S/c22-18-10-15(28-32(29,30)17-6-3-5-14(9-17)21(23,24)25)11-27-20(18)31-16-8-13-4-1-2-7-19(13)26-12-16/h1-12,28H.
What are the key properties of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 479.87 g/mol, XLogP of 5.90, 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-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71454897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).