N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide

C13H19F3N4O2S — CID 133431532

IUPACN-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(CC(F)(F)F)C(C)C2)nc1
InChIInChI=1S/C13H19F3N4O2S/c1-10-8-19(5-6-20(10)9-13(14,15)16)12-4-3-11(7-18-12)23(21,22)17-2/h3-4,7,10,17H,5-6,8-9H2,1-2H3
InChIKeyCIQLQWVISNYVPF-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.06
Rot. Bonds4

About N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide

N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 133431532) has the molecular formula C13H19F3N4O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID133431532
Molecular FormulaC13H19F3N4O2S
Molecular Weight352.38 g/mol
Exact Mass352.12
IUPAC NameN-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(CC(F)(F)F)C(C)C2)nc1
InChIInChI=1S/C13H19F3N4O2S/c1-10-8-19(5-6-20(10)9-13(14,15)16)12-4-3-11(7-18-12)23(21,22)17-2/h3-4,7,10,17H,5-6,8-9H2,1-2H3
InChIKeyCIQLQWVISNYVPF-UHFFFAOYSA-N
XLogP1.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 133431532) is N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(N2CCN(CC(F)(F)F)C(C)C2)nc1.
What is the InChIKey of N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is CIQLQWVISNYVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2S/c1-10-8-19(5-6-20(10)9-13(14,15)16)12-4-3-11(7-18-12)23(21,22)17-2/h3-4,7,10,17H,5-6,8-9H2,1-2H3.
What are the key properties of N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide?
N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 352.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133431532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).