N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C18H17F3N2O3S — CID 39207980

IUPACN-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H17F3N2O3S/c19-18(20,21)16-9-8-12(11-22-16)17(24)23-13-4-3-7-15(10-13)27(25,26)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,23,24)
InChIKeyWTUUCDQJRIUZHY-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.07
Rot. Bonds4

About N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 39207980) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID39207980
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H17F3N2O3S/c19-18(20,21)16-9-8-12(11-22-16)17(24)23-13-4-3-7-15(10-13)27(25,26)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,23,24)
InChIKeyWTUUCDQJRIUZHY-UHFFFAOYSA-N
XLogP4.07
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
N-(3-cyclopentylsulfonylphenyl)thiophene-3-carboxamide
CID 39208667
N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide
CID 155781142
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide
CID 46473011
N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 140596172
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 34968963
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide
CID 47026452
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
1-[(2-chlorophenyl)methyl]-N-(3-cyclopentylsulfonylphenyl)pyrazole-4-carboxamide
CID 55612679
3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 39209798

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 39207980) is N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WTUUCDQJRIUZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c19-18(20,21)16-9-8-12(11-22-16)17(24)23-13-4-3-7-15(10-13)27(25,26)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,23,24).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 39207980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).