3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine

C21H28F3N5O2S — CID 158013524

IUPAC3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCNC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C21H28F3N5O2S/c1-32(30,31)19-17(21(22,23)24)9-8-16(18(19)20-26-28-29-27-20)15-6-4-13(5-7-15)11-14-3-2-10-25-12-14/h8-9,13-15,25H,2-7,10-12H2,1H3,(H,26,27,28,29)
InChIKeyLQTOZDCWFCJQJS-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.95
Rot. Bonds5

About 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine

3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine (PubChem CID 158013524) has the molecular formula C21H28F3N5O2S and a molecular weight of 471.55 g/mol. Its IUPAC name is 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine
PubChem CID158013524
Molecular FormulaC21H28F3N5O2S
Molecular Weight471.55 g/mol
Exact Mass471.19
IUPAC Name3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCNC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C21H28F3N5O2S/c1-32(30,31)19-17(21(22,23)24)9-8-16(18(19)20-26-28-29-27-20)15-6-4-13(5-7-15)11-14-3-2-10-25-12-14/h8-9,13-15,25H,2-7,10-12H2,1H3,(H,26,27,28,29)
InChIKeyLQTOZDCWFCJQJS-UHFFFAOYSA-N
XLogP3.95
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine 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

3-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 157127658
3-[4-(azacycloundec-6-ylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 123858922
3-[4-[[4-(aminomethyl)cyclohexyl]amino]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266396
3-[4-(7-azaspiro[3.5]nonan-2-ylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266296
3-[4-[(3-aminocyclopentyl)amino]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266376
6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 130230590
1-[1-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]piperidin-4-yl]pyrrolidin-3-amine
CID 130230715
3-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine
CID 130230693
3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266421
N-cyclohexyl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118257032
6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149752
3-(4-piperazin-1-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266386

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine?
The IUPAC name of 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine (CID 158013524) is 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine.
What is the SMILES notation for 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine?
The canonical SMILES for 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine is CS(=O)(=O)c1c(C(F)(F)F)ccc(C2CCC(CC3CCCNC3)CC2)c1-c1nn[nH]n1.
What is the InChIKey of 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine?
The InChIKey is LQTOZDCWFCJQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N5O2S/c1-32(30,31)19-17(21(22,23)24)9-8-16(18(19)20-26-28-29-27-20)15-6-4-13(5-7-15)11-14-3-2-10-25-12-14/h8-9,13-15,25H,2-7,10-12H2,1H3,(H,26,27,28,29).
What are the key properties of 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine?
3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine has a molecular weight of 471.55 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine is sourced from PubChem (CID 158013524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).