4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide

C18H22N2O3S — CID 4883799

IUPAC4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(21)15-9-11-17(12-10-15)24(22,23)19-13-18(20(2)3)16-7-5-4-6-8-16/h4-12,18-19H,13H2,1-3H3
InChIKeyVHCNQEQLBGURAE-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.47
Rot. Bonds7

About 4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide

4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide (PubChem CID 4883799) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
PubChem CID4883799
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(21)15-9-11-17(12-10-15)24(22,23)19-13-18(20(2)3)16-7-5-4-6-8-16/h4-12,18-19H,13H2,1-3H3
InChIKeyVHCNQEQLBGURAE-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 47006082
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
4-[[2-(dimethylamino)-2-phenylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78786572
4-[[2-(diethylamino)-2-phenylethyl]sulfamoyl]benzamide
CID 86911832
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
CID 51969738
methyl 2-chloro-4-[[(2S)-2-(dimethylamino)-2-phenylethyl]sulfamoyl]benzoate
CID 124573264
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide (CID 4883799) is 4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC(c2ccccc2)N(C)C)cc1.
What is the InChIKey of 4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide?
The InChIKey is VHCNQEQLBGURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(21)15-9-11-17(12-10-15)24(22,23)19-13-18(20(2)3)16-7-5-4-6-8-16/h4-12,18-19H,13H2,1-3H3.
What are the key properties of 4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide?
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 4883799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).