3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide

C18H21NO3S — CID 110787259

IUPAC3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H21NO3S/c1-3-15-7-9-16(10-8-15)11-12-19-23(21,22)18-6-4-5-17(13-18)14(2)20/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyQYSQXDANAMPEHD-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.97
Rot. Bonds7

About 3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide

3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide (PubChem CID 110787259) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
PubChem CID110787259
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H21NO3S/c1-3-15-7-9-16(10-8-15)11-12-19-23(21,22)18-6-4-5-17(13-18)14(2)20/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyQYSQXDANAMPEHD-UHFFFAOYSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
3-acetyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789489
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-[2-(1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
CID 110791033
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-acetyl-N-[2-(1,3-benzoxazol-5-yl)ethyl]benzenesulfonamide
CID 110707458
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
CID 84591289
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide (CID 110787259) is 3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide is CCc1ccc(CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is QYSQXDANAMPEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-3-15-7-9-16(10-8-15)11-12-19-23(21,22)18-6-4-5-17(13-18)14(2)20/h4-10,13,19H,3,11-12H2,1-2H3.
What are the key properties of 3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide?
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110787259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).