N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C24H26F3N5O2S — CID 122296026

IUPACN-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C24H26F3N5O2S/c1-17-15-22(30-23(28-17)32-13-3-2-4-14-32)29-20-9-11-21(12-10-20)31-35(33,34)16-18-5-7-19(8-6-18)24(25,26)27/h5-12,15,31H,2-4,13-14,16H2,1H3,(H,28,29,30)
InChIKeyVIOJHPZGNHAKOH-UHFFFAOYSA-N
MW505.57 g/mol
LogP5.48
Rot. Bonds7

About N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 122296026) has the molecular formula C24H26F3N5O2S and a molecular weight of 505.57 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID122296026
Molecular FormulaC24H26F3N5O2S
Molecular Weight505.57 g/mol
Exact Mass505.18
IUPAC NameN-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C24H26F3N5O2S/c1-17-15-22(30-23(28-17)32-13-3-2-4-14-32)29-20-9-11-21(12-10-20)31-35(33,34)16-18-5-7-19(8-6-18)24(25,26)27/h5-12,15,31H,2-4,13-14,16H2,1H3,(H,28,29,30)
InChIKeyVIOJHPZGNHAKOH-UHFFFAOYSA-N
XLogP5.48
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.57
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 122326174
1-(2,5-difluorophenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 122295785
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122352554
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide
CID 122325986
6-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914072
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347
4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
CID 122333431
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122296035
6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
1-(4-fluorophenyl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]methanesulfonamide
CID 122287947
1-(4-fluorophenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]methanesulfonamide
CID 122287695
3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-1H-pyrazole-4-sulfonamide
CID 122295787

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 122296026) is N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is Cc1cc(Nc2ccc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is VIOJHPZGNHAKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2S/c1-17-15-22(30-23(28-17)32-13-3-2-4-14-32)29-20-9-11-21(12-10-20)31-35(33,34)16-18-5-7-19(8-6-18)24(25,26)27/h5-12,15,31H,2-4,13-14,16H2,1H3,(H,28,29,30).
What are the key properties of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 505.57 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 122296026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).