6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide

C25H28F3N5O3S — CID 162454353

IUPAC6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccncn2)cnc1OC1CCC(c2cccc(C(F)(F)F)c2)CC1N(C)C
InChIInChI=1S/C25H28F3N5O3S/c1-16-11-20(37(34,35)32-23-9-10-29-15-31-23)14-30-24(16)36-22-8-7-18(13-21(22)33(2)3)17-5-4-6-19(12-17)25(26,27)28/h4-6,9-12,14-15,18,21-22H,7-8,13H2,1-3H3,(H,29,31,32)
InChIKeyRNPNFZZHBMPNOA-UHFFFAOYSA-N
MW535.59 g/mol
LogP4.64
Rot. Bonds7

About 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide

6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide (PubChem CID 162454353) has the molecular formula C25H28F3N5O3S and a molecular weight of 535.59 g/mol. Its IUPAC name is 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide
PubChem CID162454353
Molecular FormulaC25H28F3N5O3S
Molecular Weight535.59 g/mol
Exact Mass535.19
IUPAC Name6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccncn2)cnc1OC1CCC(c2cccc(C(F)(F)F)c2)CC1N(C)C
InChIInChI=1S/C25H28F3N5O3S/c1-16-11-20(37(34,35)32-23-9-10-29-15-31-23)14-30-24(16)36-22-8-7-18(13-21(22)33(2)3)17-5-4-6-19(12-17)25(26,27)28/h4-6,9-12,14-15,18,21-22H,7-8,13H2,1-3H3,(H,29,31,32)
InChIKeyRNPNFZZHBMPNOA-UHFFFAOYSA-N
XLogP4.64
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide with MolForge

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Related Compounds

5-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylpyridine-2-sulfonamide
CID 149203880
(1S,2S,5S)-N,N-dimethyl-2-[[5-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]-5-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367551
6-[(1S,2S,4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]-2-(dimethylamino)cyclohexyl]oxy-N-pyrimidin-4-ylpyridine-3-sulfonamide
CID 153367483
4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
CID 134429696
5-bromo-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
CID 134429693
6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-methyl-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-2-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide
CID 150893182
4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;formic acid
CID 146472107
1-[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]-7-fluoro-2-oxo-N-pyrimidin-4-yl-3,4-dihydroquinoline-6-sulfonamide
CID 139433480
5-chloro-2-fluoro-4-[(1S,2S,4S)-2-[methyl-[2-(methylamino)ethyl]amino]-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide;formic acid
CID 139433750
[[(1S,2S,5S)-2-[5-fluoro-2-hydroxy-4-(pyrimidin-4-ylsulfamoyl)anilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-methylamino]methyl formate
CID 146525547
[5-(pyrimidin-4-ylsulfamoyl)-2-[(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-4-pyridinyl] formate
CID 153367507
4-[[(1S,2S,4S)-2-[bis(trideuteriomethyl)amino]-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-5-chloro-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;formic acid
CID 139433682

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide (CID 162454353) is 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccncn2)cnc1OC1CCC(c2cccc(C(F)(F)F)c2)CC1N(C)C.
What is the InChIKey of 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
The InChIKey is RNPNFZZHBMPNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O3S/c1-16-11-20(37(34,35)32-23-9-10-29-15-31-23)14-30-24(16)36-22-8-7-18(13-21(22)33(2)3)17-5-4-6-19(12-17)25(26,27)28/h4-6,9-12,14-15,18,21-22H,7-8,13H2,1-3H3,(H,29,31,32).
What are the key properties of 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide?
6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide has a molecular weight of 535.59 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxy-5-methyl-N-pyrimidin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 162454353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).