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

C8H9ClF3N3O2S — CID 64600107

IUPAC6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C8H9ClF3N3O2S/c1-15(4-8(10,11)12)18(16,17)5-2-6(9)7(13)14-3-5/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyIZKVIQLLROVBFF-UHFFFAOYSA-N
MW303.69 g/mol
LogP1.50
Rot. Bonds3

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

6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 64600107) has the molecular formula C8H9ClF3N3O2S and a molecular weight of 303.69 g/mol. Its IUPAC name is 6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID64600107
Molecular FormulaC8H9ClF3N3O2S
Molecular Weight303.69 g/mol
Exact Mass303.01
IUPAC Name6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C8H9ClF3N3O2S/c1-15(4-8(10,11)12)18(16,17)5-2-6(9)7(13)14-3-5/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyIZKVIQLLROVBFF-UHFFFAOYSA-N
XLogP1.50
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 64600107) is 6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is IZKVIQLLROVBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O2S/c1-15(4-8(10,11)12)18(16,17)5-2-6(9)7(13)14-3-5/h2-3H,4H2,1H3,(H2,13,14).
What are the key properties of 6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 303.69 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64600107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).