4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide

C7H8F3N3O2S — CID 10753493

IUPAC4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1NCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c8-7(9,10)4-13-5-1-2-12-3-6(5)16(11,14)15/h1-3H,4H2,(H,12,13)(H2,11,14,15)
InChIKeyYDJYSIVUMQQLQO-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.70
Rot. Bonds3

About 4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide

4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide (PubChem CID 10753493) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide
PubChem CID10753493
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC Name4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1NCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c8-7(9,10)4-13-5-1-2-12-3-6(5)16(11,14)15/h1-3H,4H2,(H,12,13)(H2,11,14,15)
InChIKeyYDJYSIVUMQQLQO-UHFFFAOYSA-N
XLogP0.70
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide?
The IUPAC name of 4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide (CID 10753493) is 4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide?
The canonical SMILES for 4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1NCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide?
The InChIKey is YDJYSIVUMQQLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c8-7(9,10)4-13-5-1-2-12-3-6(5)16(11,14)15/h1-3H,4H2,(H,12,13)(H2,11,14,15).
What are the key properties of 4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide?
4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide has a molecular weight of 255.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 10753493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).