5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C11H15ClF3N3O2S — CID 64600108

IUPAC5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cc1Cl
InChIInChI=1S/C11H15ClF3N3O2S/c1-3-4-16-10-9(12)5-8(6-17-10)21(19,20)18(2)7-11(13,14)15/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyMZAUQVARIHUPSV-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.74
Rot. Bonds6

About 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 64600108) has the molecular formula C11H15ClF3N3O2S and a molecular weight of 345.77 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID64600108
Molecular FormulaC11H15ClF3N3O2S
Molecular Weight345.77 g/mol
Exact Mass345.05
IUPAC Name5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cc1Cl
InChIInChI=1S/C11H15ClF3N3O2S/c1-3-4-16-10-9(12)5-8(6-17-10)21(19,20)18(2)7-11(13,14)15/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyMZAUQVARIHUPSV-UHFFFAOYSA-N
XLogP2.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-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 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 64600108) is 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CCCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is MZAUQVARIHUPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O2S/c1-3-4-16-10-9(12)5-8(6-17-10)21(19,20)18(2)7-11(13,14)15/h5-6H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 345.77 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64600108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).