N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide

C17H21NO3S — CID 110288005

IUPACN-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(CCN(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO3S/c1-14-4-10-17(11-5-14)22(19,20)18(2)13-12-15-6-8-16(21-3)9-7-15/h4-11H,12-13H2,1-3H3
InChIKeyYMHVGSLRRMCMLP-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide

N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 110288005) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
PubChem CID110288005
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(CCN(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO3S/c1-14-4-10-17(11-5-14)22(19,20)18(2)13-12-15-6-8-16(21-3)9-7-15/h4-11H,12-13H2,1-3H3
InChIKeyYMHVGSLRRMCMLP-UHFFFAOYSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 129485750
N-(2-diethoxyphosphorylethynyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 134849971
4-methoxy-N-methyl-N-[2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
CID 67245434
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288023
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847
N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
N-[(4-methoxyphenyl)methyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 24806524
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide (CID 110288005) is N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide is COc1ccc(CCN(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is YMHVGSLRRMCMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-4-10-17(11-5-14)22(19,20)18(2)13-12-15-6-8-16(21-3)9-7-15/h4-11H,12-13H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide?
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110288005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).