N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide

C21H14F3N3O2S — CID 118873492

IUPACN-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O2S/c22-21(23,24)15-5-1-6-16(12-15)30(28,29)27-19-9-8-17(14-4-2-10-25-13-14)18-7-3-11-26-20(18)19/h1-13,27H
InChIKeyRTHSEYQQWBBPHL-UHFFFAOYSA-N
MW429.42 g/mol
LogP5.12
Rot. Bonds4

About N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 118873492) has the molecular formula C21H14F3N3O2S and a molecular weight of 429.42 g/mol. Its IUPAC name is N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID118873492
Molecular FormulaC21H14F3N3O2S
Molecular Weight429.42 g/mol
Exact Mass429.08
IUPAC NameN-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O2S/c22-21(23,24)15-5-1-6-16(12-15)30(28,29)27-19-9-8-17(14-4-2-10-25-13-14)18-7-3-11-26-20(18)19/h1-13,27H
InChIKeyRTHSEYQQWBBPHL-UHFFFAOYSA-N
XLogP5.12
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Intepirdine
CID 11256720
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-(p-Toluenesulfonylamino)quinoline
CID 82533
N-(4-((8-Quinolinylamino)sulfonyl)phenyl)acetamide
CID 788569
2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 659101
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759925
N-[2-chloro-5-(4-pyridin-3-ylquinolin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53361718
N-[2-chloro-5-[4-[4-(dimethylamino)phenyl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53363523
N-(2-Chloro-5-(3-(pyridin-4-yl)quinoxalin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 53363611
N-[2-chloro-5-[4-[4-[(dimethylamino)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 121406011
N-(4-isopropylphenyl)quinoline-8-sulfonamide
CID 4093866

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 118873492) is N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RTHSEYQQWBBPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2S/c22-21(23,24)15-5-1-6-16(12-15)30(28,29)27-19-9-8-17(14-4-2-10-25-13-14)18-7-3-11-26-20(18)19/h1-13,27H.
What are the key properties of N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 429.42 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118873492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).