N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide

C16H20N2O4S — CID 120715614

IUPACN-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCc2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2O4S/c1-21-14-7-8-15(22-2)16(11-14)23(19,20)18-10-9-12-3-5-13(17)6-4-12/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyZHRJLDFYPAUEED-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.81
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide

N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 120715614) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID120715614
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCc2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2O4S/c1-21-14-7-8-15(22-2)16(11-14)23(19,20)18-10-9-12-3-5-13(17)6-4-12/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyZHRJLDFYPAUEED-UHFFFAOYSA-N
XLogP1.81
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789260
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 110718832
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 141008380

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide (CID 120715614) is N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCc2ccc(N)cc2)c1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is ZHRJLDFYPAUEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-21-14-7-8-15(22-2)16(11-14)23(19,20)18-10-9-12-3-5-13(17)6-4-12/h3-8,11,18H,9-10,17H2,1-2H3.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 120715614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).