4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C13H17NO4S — CID 3401907

IUPAC4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C13H17NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyVYRZYAVHLNHTMV-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.35
Rot. Bonds5

About 4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 3401907) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID3401907
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C13H17NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyVYRZYAVHLNHTMV-UHFFFAOYSA-N
XLogP1.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423
3-oxobutan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988391
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320408
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 3401907) is 4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is VYRZYAVHLNHTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-10(15)11-4-6-13(7-5-11)19(16,17)14-9-12-3-2-8-18-12/h4-7,12,14H,2-3,8-9H2,1H3.
What are the key properties of 4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3401907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).