N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide

C21H13ClF3N3O4S — CID 24852700

IUPACN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H13ClF3N3O4S/c22-18-10-14(28-33(29,30)17-7-5-15(6-8-17)32-21(23,24)25)11-27-20(18)31-16-9-13-3-1-2-4-19(13)26-12-16/h1-12,28H
InChIKeyZOHQVCMGEKBEQZ-UHFFFAOYSA-N
MW495.87 g/mol
LogP5.77
Rot. Bonds6

About N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 24852700) has the molecular formula C21H13ClF3N3O4S and a molecular weight of 495.87 g/mol. Its IUPAC name is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID24852700
Molecular FormulaC21H13ClF3N3O4S
Molecular Weight495.87 g/mol
Exact Mass495.03
IUPAC NameN-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H13ClF3N3O4S/c22-18-10-14(28-33(29,30)17-7-5-15(6-8-17)32-21(23,24)25)11-27-20(18)31-16-9-13-3-1-2-4-19(13)26-12-16/h1-12,28H
InChIKeyZOHQVCMGEKBEQZ-UHFFFAOYSA-N
XLogP5.77
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.87
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 24852700) is N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ZOHQVCMGEKBEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N3O4S/c22-18-10-14(28-33(29,30)17-7-5-15(6-8-17)32-21(23,24)25)11-27-20(18)31-16-9-13-3-1-2-4-19(13)26-12-16/h1-12,28H.
What are the key properties of N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 495.87 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 24852700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).