4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide

C20H27F3N8O2S — CID 118266357

IUPAC4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C2CCC(c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)CC2)CC1
InChIInChI=1S/C20H27F3N8O2S/c21-20(22,23)15-6-5-14(16(17(15)34(26,32)33)18-27-29-30-28-18)13-3-1-11(2-4-13)12-7-9-31(10-8-12)19(24)25/h5-6,11-13H,1-4,7-10H2,(H3,24,25)(H2,26,32,33)(H,27,28,29,30)
InChIKeyKZWYZQHVIJXZLH-UHFFFAOYSA-N
MW500.55 g/mol
LogP2.41
Rot. Bonds4

About 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide

4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide (PubChem CID 118266357) has the molecular formula C20H27F3N8O2S and a molecular weight of 500.55 g/mol. Its IUPAC name is 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide
PubChem CID118266357
Molecular FormulaC20H27F3N8O2S
Molecular Weight500.55 g/mol
Exact Mass500.19
IUPAC Name4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C2CCC(c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)CC2)CC1
InChIInChI=1S/C20H27F3N8O2S/c21-20(22,23)15-6-5-14(16(17(15)34(26,32)33)18-27-29-30-28-18)13-3-1-11(2-4-13)12-7-9-31(10-8-12)19(24)25/h5-6,11-13H,1-4,7-10H2,(H3,24,25)(H2,26,32,33)(H,27,28,29,30)
InChIKeyKZWYZQHVIJXZLH-UHFFFAOYSA-N
XLogP2.41
TPSA167.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide 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

(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide
CID 118266421
(2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
CID 118257181
3-((1r,4r)-4-aminocyclohexyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266354
1-[4-[3-sulfamoyl-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl] guanidine
CID 118266375
(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
CID 118256901
4''-[1-(azetidin-3-ylmethyl)piperidin-4-yl]-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)biphenyl-3-sulfonamide
CID 118266447
3-((1r,4r)-4-(piperidin-4-yl)cyclohexyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256794
3-(cis 4-(guanidinomethyl)cyclohexyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide and 3-(trans 4-(guanidinomethyl)cyclohexyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256867
3-cyclohexyl-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118257033
3-(cis 4-(Aminomethyl)cyclohexyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118257183
3-[4-[(1-aminocyclopropyl)methylamino]cyclohexyl]-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118257195
3-[4-(trans-2-aminoethylamino)cyclohexyl]-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118257280

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide?
The IUPAC name of 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide (CID 118266357) is 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(C2CCC(c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)CC2)CC1.
What is the InChIKey of 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide?
The InChIKey is KZWYZQHVIJXZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N8O2S/c21-20(22,23)15-6-5-14(16(17(15)34(26,32)33)18-27-29-30-28-18)13-3-1-11(2-4-13)12-7-9-31(10-8-12)19(24)25/h5-6,11-13H,1-4,7-10H2,(H3,24,25)(H2,26,32,33)(H,27,28,29,30).
What are the key properties of 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide?
4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide has a molecular weight of 500.55 g/mol, XLogP of 2.41, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]piperidine-1-carboximidamide is sourced from PubChem (CID 118266357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).