N-(3-acetylphenyl)oxane-4-sulfonamide

C13H17NO4S — CID 62048626

IUPACN-(3-acetylphenyl)oxane-4-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C13H17NO4S/c1-10(15)11-3-2-4-12(9-11)14-19(16,17)13-5-7-18-8-6-13/h2-4,9,13-14H,5-8H2,1H3
InChIKeyCOUAZWBVYIXWER-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.81
Rot. Bonds4

About N-(3-acetylphenyl)oxane-4-sulfonamide

N-(3-acetylphenyl)oxane-4-sulfonamide (PubChem CID 62048626) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)oxane-4-sulfonamide
PubChem CID62048626
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-(3-acetylphenyl)oxane-4-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C13H17NO4S/c1-10(15)11-3-2-4-12(9-11)14-19(16,17)13-5-7-18-8-6-13/h2-4,9,13-14H,5-8H2,1H3
InChIKeyCOUAZWBVYIXWER-UHFFFAOYSA-N
XLogP1.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
CID 55031487
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
(3-acetylphenyl)sulfamic acid
CID 12629151
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 95337073
N-(3-acetylphenyl)-1-chloromethanesulfonamide
CID 63666365
N-(oxan-4-ylsulfonyl)benzamide
CID 47479884
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
3-(cyclopentylsulfonylamino)benzenecarbothioamide
CID 105361104
N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide
CID 62049563
1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
CID 113421750
3-(cyclohexylsulfonylamino)benzenecarbothioamide
CID 61066190

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)oxane-4-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)oxane-4-sulfonamide (CID 62048626) is N-(3-acetylphenyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)oxane-4-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)oxane-4-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)C2CCOCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)oxane-4-sulfonamide?
The InChIKey is COUAZWBVYIXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-10(15)11-3-2-4-12(9-11)14-19(16,17)13-5-7-18-8-6-13/h2-4,9,13-14H,5-8H2,1H3.
What are the key properties of N-(3-acetylphenyl)oxane-4-sulfonamide?
N-(3-acetylphenyl)oxane-4-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)oxane-4-sulfonamide is sourced from PubChem (CID 62048626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).