4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide

C13H17NO4S — CID 155923750

IUPAC4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1ccc(C=O)cc1
InChIInChI=1S/C13H17NO4S/c1-14(12-6-8-18-9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3
InChIKeyAUXFBNNXAJNXJJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.30
Rot. Bonds4

About 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide

4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 155923750) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID155923750
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1ccc(C=O)cc1
InChIInChI=1S/C13H17NO4S/c1-14(12-6-8-18-9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3
InChIKeyAUXFBNNXAJNXJJ-UHFFFAOYSA-N
XLogP1.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide (CID 155923750) is 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide is CN(C1CCOCC1)S(=O)(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is AUXFBNNXAJNXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-14(12-6-8-18-9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 155923750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).