6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide

C9H9F3N2O3S — CID 174351892

IUPAC6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C=O)n1)C(F)(F)F
InChIInChI=1S/C9H9F3N2O3S/c1-6(9(10,11)12)14-18(16,17)8-4-2-3-7(5-15)13-8/h2-6,14H,1H3
InChIKeyHTDHGJZEZUWHLX-UHFFFAOYSA-N
MW282.24 g/mol
LogP1.12
Rot. Bonds4

About 6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide

6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide (PubChem CID 174351892) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide
PubChem CID174351892
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C=O)n1)C(F)(F)F
InChIInChI=1S/C9H9F3N2O3S/c1-6(9(10,11)12)14-18(16,17)8-4-2-3-7(5-15)13-8/h2-6,14H,1H3
InChIKeyHTDHGJZEZUWHLX-UHFFFAOYSA-N
XLogP1.12
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide?
The IUPAC name of 6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide (CID 174351892) is 6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide?
The canonical SMILES for 6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide is CC(NS(=O)(=O)c1cccc(C=O)n1)C(F)(F)F.
What is the InChIKey of 6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide?
The InChIKey is HTDHGJZEZUWHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c1-6(9(10,11)12)14-18(16,17)8-4-2-3-7(5-15)13-8/h2-6,14H,1H3.
What are the key properties of 6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide?
6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide has a molecular weight of 282.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 174351892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).