3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C18H28F3N7O2S — CID 134823751

IUPAC3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCC(C3CCNCC3)CC2)c1C1NNNN1
InChIInChI=1S/C18H28F3N7O2S/c19-18(20,21)13-1-2-14(15(16(13)31(22,29)30)17-24-26-27-25-17)28-9-5-12(6-10-28)11-3-7-23-8-4-11/h1-2,11-12,17,23-27H,3-10H2,(H2,22,29,30)
InChIKeyXDZMBHMRRIHHGU-UHFFFAOYSA-N
MW463.53 g/mol
LogP0.68
Rot. Bonds4

About 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823751) has the molecular formula C18H28F3N7O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823751
Molecular FormulaC18H28F3N7O2S
Molecular Weight463.53 g/mol
Exact Mass463.20
IUPAC Name3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCC(C3CCNCC3)CC2)c1C1NNNN1
InChIInChI=1S/C18H28F3N7O2S/c19-18(20,21)13-1-2-14(15(16(13)31(22,29)30)17-24-26-27-25-17)28-9-5-12(6-10-28)11-3-7-23-8-4-11/h1-2,11-12,17,23-27H,3-10H2,(H2,22,29,30)
InChIKeyXDZMBHMRRIHHGU-UHFFFAOYSA-N
XLogP0.68
TPSA123.55 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 50.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823751) is 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(N2CCC(C3CCNCC3)CC2)c1C1NNNN1.
What is the InChIKey of 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XDZMBHMRRIHHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N7O2S/c19-18(20,21)13-1-2-14(15(16(13)31(22,29)30)17-24-26-27-25-17)28-9-5-12(6-10-28)11-3-7-23-8-4-11/h1-2,11-12,17,23-27H,3-10H2,(H2,22,29,30).
What are the key properties of 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 463.53 g/mol, XLogP of 0.68, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-ylpiperidin-1-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).