4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C18H22N2O3S — CID 110454141

IUPAC4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(-c2ccc(S(=O)(=O)NCCN(C)C)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-14(21)16-5-4-6-17(13-16)15-7-9-18(10-8-15)24(22,23)19-11-12-20(2)3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyOGAMQFXHIBYWSJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.40
Rot. Bonds7

About 4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide

4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 110454141) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID110454141
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(-c2ccc(S(=O)(=O)NCCN(C)C)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-14(21)16-5-4-6-17(13-16)15-7-9-18(10-8-15)24(22,23)19-11-12-20(2)3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyOGAMQFXHIBYWSJ-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
CID 110454140
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 82164625
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109064025
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 110454141) is 4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CC(=O)c1cccc(-c2ccc(S(=O)(=O)NCCN(C)C)cc2)c1.
What is the InChIKey of 4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is OGAMQFXHIBYWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(21)16-5-4-6-17(13-16)15-7-9-18(10-8-15)24(22,23)19-11-12-20(2)3/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of 4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 110454141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).