4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide

C17H18ClF3N4O2S — CID 1214441

IUPAC4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H18ClF3N4O2S/c1-22-28(26,27)16-11-23-5-4-15(16)25-8-6-24(7-9-25)12-2-3-14(18)13(10-12)17(19,20)21/h2-5,10-11,22H,6-9H2,1H3
InChIKeyOGPAHBYNEJBWTE-UHFFFAOYSA-N
MW434.87 g/mol
LogP2.99
Rot. Bonds4

About 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide

4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 1214441) has the molecular formula C17H18ClF3N4O2S and a molecular weight of 434.87 g/mol. Its IUPAC name is 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide
PubChem CID1214441
Molecular FormulaC17H18ClF3N4O2S
Molecular Weight434.87 g/mol
Exact Mass434.08
IUPAC Name4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H18ClF3N4O2S/c1-22-28(26,27)16-11-23-5-4-15(16)25-8-6-24(7-9-25)12-2-3-14(18)13(10-12)17(19,20)21/h2-5,10-11,22H,6-9H2,1H3
InChIKeyOGPAHBYNEJBWTE-UHFFFAOYSA-N
XLogP2.99
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-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 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide (CID 1214441) is 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is OGPAHBYNEJBWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O2S/c1-22-28(26,27)16-11-23-5-4-15(16)25-8-6-24(7-9-25)12-2-3-14(18)13(10-12)17(19,20)21/h2-5,10-11,22H,6-9H2,1H3.
What are the key properties of 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 434.87 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 1214441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).