4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide

C14H19NO4S — CID 62350496

IUPAC4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-11(16)13-2-4-14(5-3-13)20(17,18)15-10-12-6-8-19-9-7-12/h2-5,12,15H,6-10H2,1H3
InChIKeyAOBYQAFOIFMXBP-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.59
Rot. Bonds5

About 4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide

4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 62350496) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID62350496
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-11(16)13-2-4-14(5-3-13)20(17,18)15-10-12-6-8-19-9-7-12/h2-5,12,15H,6-10H2,1H3
InChIKeyAOBYQAFOIFMXBP-UHFFFAOYSA-N
XLogP1.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 62350496) is 4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is AOBYQAFOIFMXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-11(16)13-2-4-14(5-3-13)20(17,18)15-10-12-6-8-19-9-7-12/h2-5,12,15H,6-10H2,1H3.
What are the key properties of 4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 62350496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).