6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide

C10H14N2O3S — CID 174294496

IUPAC6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cccc(C=O)n1
InChIInChI=1S/C10H14N2O3S/c1-8(2)6-11-16(14,15)10-5-3-4-9(7-13)12-10/h3-5,7-8,11H,6H2,1-2H3
InChIKeyCCNOUCYBJVTLNT-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.83
Rot. Bonds5

About 6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide

6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide (PubChem CID 174294496) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide
PubChem CID174294496
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cccc(C=O)n1
InChIInChI=1S/C10H14N2O3S/c1-8(2)6-11-16(14,15)10-5-3-4-9(7-13)12-10/h3-5,7-8,11H,6H2,1-2H3
InChIKeyCCNOUCYBJVTLNT-UHFFFAOYSA-N
XLogP0.83
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.83
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-(2-methylpropyl)pyridine-2-sulfonamide?
The IUPAC name of 6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide (CID 174294496) is 6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide.
What is the SMILES notation for 6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide?
The canonical SMILES for 6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide is CC(C)CNS(=O)(=O)c1cccc(C=O)n1.
What is the InChIKey of 6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide?
The InChIKey is CCNOUCYBJVTLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-8(2)6-11-16(14,15)10-5-3-4-9(7-13)12-10/h3-5,7-8,11H,6H2,1-2H3.
What are the key properties of 6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide?
6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-N-(2-methylpropyl)pyridine-2-sulfonamide is sourced from PubChem (CID 174294496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).