N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide

C18H24N2O2S — CID 51169696

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(C(CNS(=O)(=O)c2ccccc2)N(C)C)cc1
InChIInChI=1S/C18H24N2O2S/c1-4-15-10-12-16(13-11-15)18(20(2)3)14-19-23(21,22)17-8-6-5-7-9-17/h5-13,18-19H,4,14H2,1-3H3
InChIKeyVGEMHZSQIKCTSD-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.83
Rot. Bonds7

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

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide (PubChem CID 51169696) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
PubChem CID51169696
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(C(CNS(=O)(=O)c2ccccc2)N(C)C)cc1
InChIInChI=1S/C18H24N2O2S/c1-4-15-10-12-16(13-11-15)18(20(2)3)14-19-23(21,22)17-8-6-5-7-9-17/h5-13,18-19H,4,14H2,1-3H3
InChIKeyVGEMHZSQIKCTSD-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzene-1,3-disulfonamide
CID 55512101
ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
CID 51969738
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169698
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 51169700
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 94081615
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110419561
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide
CID 18191926
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
5-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-2-sulfonamide
CID 55353854

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide (CID 51169696) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide is CCc1ccc(C(CNS(=O)(=O)c2ccccc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is VGEMHZSQIKCTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-4-15-10-12-16(13-11-15)18(20(2)3)14-19-23(21,22)17-8-6-5-7-9-17/h5-13,18-19H,4,14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 51169696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).