6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide

C9H9F3N2O3S — CID 174302995

IUPAC6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide
SMILESO=Cc1cccc(S(=O)(=O)NCCC(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)4-5-13-18(16,17)8-3-1-2-7(6-15)14-8/h1-3,6,13H,4-5H2
InChIKeyGUEJIQKMSXSWFT-UHFFFAOYSA-N
MW282.24 g/mol
LogP1.12
Rot. Bonds5

About 6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide

6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide (PubChem CID 174302995) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide
PubChem CID174302995
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide
SMILESO=Cc1cccc(S(=O)(=O)NCCC(F)(F)F)n1
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)4-5-13-18(16,17)8-3-1-2-7(6-15)14-8/h1-3,6,13H,4-5H2
InChIKeyGUEJIQKMSXSWFT-UHFFFAOYSA-N
XLogP1.12
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide?
The IUPAC name of 6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide (CID 174302995) is 6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide.
What is the SMILES notation for 6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide?
The canonical SMILES for 6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide is O=Cc1cccc(S(=O)(=O)NCCC(F)(F)F)n1.
What is the InChIKey of 6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide?
The InChIKey is GUEJIQKMSXSWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c10-9(11,12)4-5-13-18(16,17)8-3-1-2-7(6-15)14-8/h1-3,6,13H,4-5H2.
What are the key properties of 6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide?
6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide has a molecular weight of 282.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide is sourced from PubChem (CID 174302995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).