3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C15H21NO4S — CID 61253542

IUPAC3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCOC1)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C15H21NO4S/c1-3-16(10-13-7-8-20-11-13)21(18,19)15-6-4-5-14(9-15)12(2)17/h4-6,9,13H,3,7-8,10-11H2,1-2H3
InChIKeyIYQXZHKZROSLSZ-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.94
Rot. Bonds6

About 3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 61253542) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID61253542
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCOC1)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C15H21NO4S/c1-3-16(10-13-7-8-20-11-13)21(18,19)15-6-4-5-14(9-15)12(2)17/h4-6,9,13H,3,7-8,10-11H2,1-2H3
InChIKeyIYQXZHKZROSLSZ-UHFFFAOYSA-N
XLogP1.94
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-6-sulfonamide
CID 95775848
3-(azepane-1-carbonyl)-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 72858134
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
2,5-dibromo-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47350790
3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide
CID 78970274
5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61028179
3-acetyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)benzenesulfonamide
CID 90607213
4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216140
3,4-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915434
N-[[5-[ethyl(oxolan-3-ylmethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 51097870
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2712357

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 61253542) is 3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is CCN(CC1CCOC1)S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is IYQXZHKZROSLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-16(10-13-7-8-20-11-13)21(18,19)15-6-4-5-14(9-15)12(2)17/h4-6,9,13H,3,7-8,10-11H2,1-2H3.
What are the key properties of 3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61253542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).