3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide

C27H29F3N2O2S — CID 46055270

IUPAC3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C27H29F3N2O2S/c1-20-6-12-24(13-7-20)32(35(33,34)26-5-3-4-21(2)18-26)25-14-16-31(17-15-25)19-22-8-10-23(11-9-22)27(28,29)30/h3-13,18,25H,14-17,19H2,1-2H3
InChIKeyVEUHNMIDROFAJI-UHFFFAOYSA-N
MW502.60 g/mol
LogP6.18
Rot. Bonds6

About 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide

3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 46055270) has the molecular formula C27H29F3N2O2S and a molecular weight of 502.60 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID46055270
Molecular FormulaC27H29F3N2O2S
Molecular Weight502.60 g/mol
Exact Mass502.19
IUPAC Name3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)S(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C27H29F3N2O2S/c1-20-6-12-24(13-7-20)32(35(33,34)26-5-3-4-21(2)18-26)25-14-16-31(17-15-25)19-22-8-10-23(11-9-22)27(28,29)30/h3-13,18,25H,14-17,19H2,1-2H3
InChIKeyVEUHNMIDROFAJI-UHFFFAOYSA-N
XLogP6.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.60
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42853466
3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46055277
N-(4-fluorophenyl)-3-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055379
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055393
N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
N-(4-fluorophenyl)-2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048468
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46052106
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 46055237
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 46055255

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide (CID 46055270) is 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide is Cc1ccc(N(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)S(=O)(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is VEUHNMIDROFAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N2O2S/c1-20-6-12-24(13-7-20)32(35(33,34)26-5-3-4-21(2)18-26)25-14-16-31(17-15-25)19-22-8-10-23(11-9-22)27(28,29)30/h3-13,18,25H,14-17,19H2,1-2H3.
What are the key properties of 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide?
3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 502.60 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46055270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).