N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine

C16H12F3N3O2S — CID 162569376

IUPACN-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine
SMILESO=S(=O)(CNc1cccc2cccnc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)14-7-6-12(9-21-14)25(23,24)10-22-13-5-1-3-11-4-2-8-20-15(11)13/h1-9,22H,10H2
InChIKeyZSMAEOQBJCYVEY-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.49
Rot. Bonds4

About N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine

N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine (PubChem CID 162569376) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine
PubChem CID162569376
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine
SMILESO=S(=O)(CNc1cccc2cccnc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)14-7-6-12(9-21-14)25(23,24)10-22-13-5-1-3-11-4-2-8-20-15(11)13/h1-9,22H,10H2
InChIKeyZSMAEOQBJCYVEY-UHFFFAOYSA-N
XLogP3.49
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-quinolin-8-yl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466493
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738
N-(3,3-dimethylbutyl)quinolin-8-amine
CID 62965994
6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466436
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
copper(1+);2-(trifluoromethyl)-1,10-phenanthroline
CID 175971875
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31542150
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-methyl-5-(quinolin-8-ylamino)pentan-2-ol
CID 118731137
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884

Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine?
The IUPAC name of N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine (CID 162569376) is N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine.
What is the SMILES notation for N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine?
The canonical SMILES for N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine is O=S(=O)(CNc1cccc2cccnc12)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine?
The InChIKey is ZSMAEOQBJCYVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)14-7-6-12(9-21-14)25(23,24)10-22-13-5-1-3-11-4-2-8-20-15(11)13/h1-9,22H,10H2.
What are the key properties of N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine?
N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine has a molecular weight of 367.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylmethyl]quinolin-8-amine is sourced from PubChem (CID 162569376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).