4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide

C16H20N2O3S — CID 9157907

IUPAC4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2ccc(N)cc2)cc1C
InChIInChI=1S/C16H20N2O3S/c1-12-3-6-15(11-13(12)2)21-10-9-18-22(19,20)16-7-4-14(17)5-8-16/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyWGAUUOJVOGQRMP-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.24
Rot. Bonds6

About 4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide

4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide (PubChem CID 9157907) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
PubChem CID9157907
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2ccc(N)cc2)cc1C
InChIInChI=1S/C16H20N2O3S/c1-12-3-6-15(11-13(12)2)21-10-9-18-22(19,20)16-7-4-14(17)5-8-16/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyWGAUUOJVOGQRMP-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

4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157900
4-amino-N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157999
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994
4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113102776
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
N-[2-(3,4-difluorophenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113102526
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037
3,4-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101160
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
1-amino-4-[2-(dimethylsulfamoylamino)ethoxy]-2-methylbenzene
CID 39372778

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide (CID 9157907) is 4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide is Cc1ccc(OCCNS(=O)(=O)c2ccc(N)cc2)cc1C.
What is the InChIKey of 4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is WGAUUOJVOGQRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-3-6-15(11-13(12)2)21-10-9-18-22(19,20)16-7-4-14(17)5-8-16/h3-8,11,18H,9-10,17H2,1-2H3.
What are the key properties of 4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide?
4-amino-N-[2-(3,4-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-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 9157907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).