N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide

C20H26F3N5O3S — CID 141223964

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nc(NC2CCC(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc(N(C)C)n1
InChIInChI=1S/C20H26F3N5O3S/c1-13-24-18(12-19(25-13)28(2)3)26-14-7-9-15(10-8-14)27-32(29,30)17-6-4-5-16(11-17)31-20(21,22)23/h4-6,11-12,14-15,27H,7-10H2,1-3H3,(H,24,25,26)
InChIKeyNFMFLZIYUAIMRM-UHFFFAOYSA-N
MW473.52 g/mol
LogP3.45
Rot. Bonds7

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 141223964) has the molecular formula C20H26F3N5O3S and a molecular weight of 473.52 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID141223964
Molecular FormulaC20H26F3N5O3S
Molecular Weight473.52 g/mol
Exact Mass473.17
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nc(NC2CCC(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc(N(C)C)n1
InChIInChI=1S/C20H26F3N5O3S/c1-13-24-18(12-19(25-13)28(2)3)26-14-7-9-15(10-8-14)27-32(29,30)17-6-4-5-16(11-17)31-20(21,22)23/h4-6,11-12,14-15,27H,7-10H2,1-3H3,(H,24,25,26)
InChIKeyNFMFLZIYUAIMRM-UHFFFAOYSA-N
XLogP3.45
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide with MolForge

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Related Compounds

4-N,4-N,2-trimethyl-6-N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]pyrimidine-4,6-diamine
CID 68979442
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 141223857
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide
CID 141223938
N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 63320915
N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 75310646
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90635040
[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
CID 68977621
1-(3,4-dichlorophenyl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]methanesulfonamide
CID 141223943
N-[(3R)-1-[[4-(4-methylphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130211571
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide
CID 11574826
N-[(3R)-1-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130224647
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 126782691

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide (CID 141223964) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide is Cc1nc(NC2CCC(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc(N(C)C)n1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is NFMFLZIYUAIMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O3S/c1-13-24-18(12-19(25-13)28(2)3)26-14-7-9-15(10-8-14)27-32(29,30)17-6-4-5-16(11-17)31-20(21,22)23/h4-6,11-12,14-15,27H,7-10H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 473.52 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 141223964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).