4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide

C14H19NO4S — CID 47320408

IUPAC4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C14H19NO4S/c1-11(16)13-4-6-14(7-5-13)20(17,18)15-9-12-3-2-8-19-10-12/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyMKVUEJAYFNBRKU-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.59
Rot. Bonds5

About 4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide

4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 47320408) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID47320408
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C14H19NO4S/c1-11(16)13-4-6-14(7-5-13)20(17,18)15-9-12-3-2-8-19-10-12/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyMKVUEJAYFNBRKU-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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Related Compounds

4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
3-amino-4-hydroxy-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 61126988
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54905708
4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide
CID 47439938
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
3-amino-4-bromo-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 115329018
3-cyano-4-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63239224
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
methyl 3-chloro-4-(oxan-3-ylmethylsulfamoyl)benzoate
CID 51107342

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide (CID 47320408) is 4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC2CCCOC2)cc1.
What is the InChIKey of 4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is MKVUEJAYFNBRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-11(16)13-4-6-14(7-5-13)20(17,18)15-9-12-3-2-8-19-10-12/h4-7,12,15H,2-3,8-10H2,1H3.
What are the key properties of 4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
4-acetyl-N-(oxan-3-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-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47320408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).