5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C11H15ClF3N3O2S — CID 64600503

IUPAC5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C11H15ClF3N3O2S/c1-3-4-18(7-11(13,14)15)21(19,20)8-5-9(12)10(16-2)17-6-8/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyDJQLKTHUVCOARS-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.74
Rot. Bonds6

About 5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 64600503) has the molecular formula C11H15ClF3N3O2S and a molecular weight of 345.77 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID64600503
Molecular FormulaC11H15ClF3N3O2S
Molecular Weight345.77 g/mol
Exact Mass345.05
IUPAC Name5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C11H15ClF3N3O2S/c1-3-4-18(7-11(13,14)15)21(19,20)8-5-9(12)10(16-2)17-6-8/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyDJQLKTHUVCOARS-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 64600503) is 5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1cnc(NC)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is DJQLKTHUVCOARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O2S/c1-3-4-18(7-11(13,14)15)21(19,20)8-5-9(12)10(16-2)17-6-8/h5-6H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-chloro-6-(methylamino)-N-propyl-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-6-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64600503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).