4-acetyl-N-(oxolan-3-yl)benzenesulfonamide

C12H15NO4S — CID 80712927

IUPAC4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCOC2)cc1
InChIInChI=1S/C12H15NO4S/c1-9(14)10-2-4-12(5-3-10)18(15,16)13-11-6-7-17-8-11/h2-5,11,13H,6-8H2,1H3
InChIKeyIWSQZWPVWDRMHQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.96
Rot. Bonds4

About 4-acetyl-N-(oxolan-3-yl)benzenesulfonamide

4-acetyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 80712927) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-acetyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID80712927
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCOC2)cc1
InChIInChI=1S/C12H15NO4S/c1-9(14)10-2-4-12(5-3-10)18(15,16)13-11-6-7-17-8-11/h2-5,11,13H,6-8H2,1H3
InChIKeyIWSQZWPVWDRMHQ-UHFFFAOYSA-N
XLogP0.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 70734205
N-cyclohexyl-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97154955
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
CID 124741486
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
4-(oxan-3-ylsulfamoyl)benzenecarbothioamide
CID 63361664
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 61068578

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(oxolan-3-yl)benzenesulfonamide (CID 80712927) is 4-acetyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(oxolan-3-yl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC2CCOC2)cc1.
What is the InChIKey of 4-acetyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is IWSQZWPVWDRMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-9(14)10-2-4-12(5-3-10)18(15,16)13-11-6-7-17-8-11/h2-5,11,13H,6-8H2,1H3.
What are the key properties of 4-acetyl-N-(oxolan-3-yl)benzenesulfonamide?
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 269.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 80712927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).