3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide

C15H24N2O3S — CID 9266391

IUPAC3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-4-17(5-2)11-7-10-16-21(19,20)15-9-6-8-14(12-15)13(3)18/h6,8-9,12,16H,4-5,7,10-11H2,1-3H3
InChIKeyGXMDFKKLMTVFIM-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.90
Rot. Bonds9

About 3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide

3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide (PubChem CID 9266391) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
PubChem CID9266391
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-4-17(5-2)11-7-10-16-21(19,20)15-9-6-8-14(12-15)13(3)18/h6,8-9,12,16H,4-5,7,10-11H2,1-3H3
InChIKeyGXMDFKKLMTVFIM-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.90
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-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide
CID 71944756
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 115638737
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-acetyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834850
3-[[3-[3-(diethylamino)propylsulfamoyl]phenyl]methyl]-N-methyl-N-pyridin-4-ylbenzamide
CID 159031511
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638669

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide (CID 9266391) is 3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide is CCN(CC)CCCNS(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide?
The InChIKey is GXMDFKKLMTVFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-17(5-2)11-7-10-16-21(19,20)15-9-6-8-14(12-15)13(3)18/h6,8-9,12,16H,4-5,7,10-11H2,1-3H3.
What are the key properties of 3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide?
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 9266391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).