4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide

C16H20N2O3S — CID 9157900

IUPAC4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(OCCNS(=O)(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2O3S/c1-12-3-4-13(2)16(11-12)21-10-9-18-22(19,20)15-7-5-14(17)6-8-15/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyNSRPQQLIQOLULB-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.24
Rot. Bonds6

About 4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide

4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide (PubChem CID 9157900) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
PubChem CID9157900
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(OCCNS(=O)(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2O3S/c1-12-3-4-13(2)16(11-12)21-10-9-18-22(19,20)15-7-5-14(17)6-8-15/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyNSRPQQLIQOLULB-UHFFFAOYSA-N
XLogP2.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157907
4-amino-N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157999
N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852
4-tert-butyl-N-[2-(2,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 113100923
methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
CID 100558556
N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 113100868
3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102892
1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
CID 112727927
4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide
CID 113102632

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide (CID 9157900) is 4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide is Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc(N)cc2)c1.
What is the InChIKey of 4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is NSRPQQLIQOLULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-3-4-13(2)16(11-12)21-10-9-18-22(19,20)15-7-5-14(17)6-8-15/h3-8,11,18H,9-10,17H2,1-2H3.
What are the key properties of 4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide?
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 9157900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).