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

C9H11ClF3N3O2S — CID 64600109

IUPAC5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cc1Cl
InChIInChI=1S/C9H11ClF3N3O2S/c1-14-8-7(10)3-6(4-15-8)19(17,18)16(2)5-9(11,12)13/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyUQPMFVICALBAHP-UHFFFAOYSA-N
MW317.72 g/mol
LogP1.96
Rot. Bonds4

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

5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 64600109) has the molecular formula C9H11ClF3N3O2S and a molecular weight of 317.72 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID64600109
Molecular FormulaC9H11ClF3N3O2S
Molecular Weight317.72 g/mol
Exact Mass317.02
IUPAC Name5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cc1Cl
InChIInChI=1S/C9H11ClF3N3O2S/c1-14-8-7(10)3-6(4-15-8)19(17,18)16(2)5-9(11,12)13/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyUQPMFVICALBAHP-UHFFFAOYSA-N
XLogP1.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 64600109) is 5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is UQPMFVICALBAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O2S/c1-14-8-7(10)3-6(4-15-8)19(17,18)16(2)5-9(11,12)13/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-chloro-N-methyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 317.72 g/mol, XLogP of 1.96, 4 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-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64600109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).