3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide

C12H17NO4S — CID 43591526

IUPAC3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C12H17NO4S/c1-3-17-8-7-13-18(15,16)12-6-4-5-11(9-12)10(2)14/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyHKHRWDOIIRZUQH-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.20
Rot. Bonds7

About 3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide

3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide (PubChem CID 43591526) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
PubChem CID43591526
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C12H17NO4S/c1-3-17-8-7-13-18(15,16)12-6-4-5-11(9-12)10(2)14/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyHKHRWDOIIRZUQH-UHFFFAOYSA-N
XLogP1.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
CID 47304916
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-(2,2-diethoxyethyl)benzenesulfonamide
CID 78907733
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
CID 62499277
3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638669
3-acetyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 115638737
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide (CID 43591526) is 3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide is CCOCCNS(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide?
The InChIKey is HKHRWDOIIRZUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-17-8-7-13-18(15,16)12-6-4-5-11(9-12)10(2)14/h4-6,9,13H,3,7-8H2,1-2H3.
What are the key properties of 3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide?
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 43591526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).