N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C21H20F6N2O3S — CID 140596172

IUPACN-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)C2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H20F6N2O3S/c1-12-2-6-16(10-17(12)20(22,23)24)33(31,32)15-7-4-14(5-8-15)29-19(30)13-3-9-18(28-11-13)21(25,26)27/h2-3,6,9-11,14-15H,4-5,7-8H2,1H3,(H,29,30)
InChIKeyNTHSVFCQSSOHBH-UHFFFAOYSA-N
MW494.46 g/mol
LogP4.94
Rot. Bonds4

About N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 140596172) has the molecular formula C21H20F6N2O3S and a molecular weight of 494.46 g/mol. Its IUPAC name is N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID140596172
Molecular FormulaC21H20F6N2O3S
Molecular Weight494.46 g/mol
Exact Mass494.11
IUPAC NameN-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)C2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H20F6N2O3S/c1-12-2-6-16(10-17(12)20(22,23)24)33(31,32)15-7-4-14(5-8-15)29-19(30)13-3-9-18(28-11-13)21(25,26)27/h2-3,6,9-11,14-15H,4-5,7-8H2,1H3,(H,29,30)
InChIKeyNTHSVFCQSSOHBH-UHFFFAOYSA-N
XLogP4.94
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene
CID 71114454
3,4-dichloro-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]benzamide
CID 140596123
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39207980
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124606510
N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126856476
6-tert-butyl-N-cyclohexylpyridine-3-carboxamide
CID 20709646
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 22318683
N-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 62359230
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 136512439
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 140596172) is N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)C2CCC(NC(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NTHSVFCQSSOHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O3S/c1-12-2-6-16(10-17(12)20(22,23)24)33(31,32)15-7-4-14(5-8-15)29-19(30)13-3-9-18(28-11-13)21(25,26)27/h2-3,6,9-11,14-15H,4-5,7-8H2,1H3,(H,29,30).
What are the key properties of N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 494.46 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 140596172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).