N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide

C13H16F3N7O2S — CID 25095932

IUPACN-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCc1cn[nH]n1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H16F3N7O2S/c14-13(15,16)10-1-2-12(17-7-10)22-3-5-23(6-4-22)26(24,25)19-9-11-8-18-21-20-11/h1-2,7-8,19H,3-6,9H2,(H,18,20,21)
InChIKeyXEKGPOCBSKOXQU-UHFFFAOYSA-N
MW391.38 g/mol
LogP0.38
Rot. Bonds5

About N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide

N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide (PubChem CID 25095932) has the molecular formula C13H16F3N7O2S and a molecular weight of 391.38 g/mol. Its IUPAC name is N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide
PubChem CID25095932
Molecular FormulaC13H16F3N7O2S
Molecular Weight391.38 g/mol
Exact Mass391.10
IUPAC NameN-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCc1cn[nH]n1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H16F3N7O2S/c14-13(15,16)10-1-2-12(17-7-10)22-3-5-23(6-4-22)26(24,25)19-9-11-8-18-21-20-11/h1-2,7-8,19H,3-6,9H2,(H,18,20,21)
InChIKeyXEKGPOCBSKOXQU-UHFFFAOYSA-N
XLogP0.38
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide 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 N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide?
The IUPAC name of N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide (CID 25095932) is N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide?
The canonical SMILES for N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide is O=S(=O)(NCc1cn[nH]n1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide?
The InChIKey is XEKGPOCBSKOXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N7O2S/c14-13(15,16)10-1-2-12(17-7-10)22-3-5-23(6-4-22)26(24,25)19-9-11-8-18-21-20-11/h1-2,7-8,19H,3-6,9H2,(H,18,20,21).
What are the key properties of N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide?
N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide has a molecular weight of 391.38 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-sulfonamide is sourced from PubChem (CID 25095932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).