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

C10H11ClF3N3O2S — CID 64599919

IUPAC6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1Cl
InChIInChI=1S/C10H11ClF3N3O2S/c11-8-3-7(4-16-9(8)15)20(18,19)17(6-1-2-6)5-10(12,13)14/h3-4,6H,1-2,5H2,(H2,15,16)
InChIKeyFCOJZOOXTMTVSC-UHFFFAOYSA-N
MW329.73 g/mol
LogP2.03
Rot. Bonds4

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

6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 64599919) has the molecular formula C10H11ClF3N3O2S and a molecular weight of 329.73 g/mol. Its IUPAC name is 6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID64599919
Molecular FormulaC10H11ClF3N3O2S
Molecular Weight329.73 g/mol
Exact Mass329.02
IUPAC Name6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1Cl
InChIInChI=1S/C10H11ClF3N3O2S/c11-8-3-7(4-16-9(8)15)20(18,19)17(6-1-2-6)5-10(12,13)14/h3-4,6H,1-2,5H2,(H2,15,16)
InChIKeyFCOJZOOXTMTVSC-UHFFFAOYSA-N
XLogP2.03
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 52.03
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-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 64599919) is 6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is Nc1ncc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is FCOJZOOXTMTVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2S/c11-8-3-7(4-16-9(8)15)20(18,19)17(6-1-2-6)5-10(12,13)14/h3-4,6H,1-2,5H2,(H2,15,16).
What are the key properties of 6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
6-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 329.73 g/mol, XLogP of 2.03, 4 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-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64599919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).