4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide

C20H20N2O3S — CID 9157994

IUPAC4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c21-18-8-12-20(13-9-18)26(23,24)22-14-15-25-19-10-6-17(7-11-19)16-4-2-1-3-5-16/h1-13,22H,14-15,21H2
InChIKeyZMFHYBZLZHBDKW-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.29
Rot. Bonds7

About 4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide

4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide (PubChem CID 9157994) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
PubChem CID9157994
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H20N2O3S/c21-18-8-12-20(13-9-18)26(23,24)22-14-15-25-19-10-6-17(7-11-19)16-4-2-1-3-5-16/h1-13,22H,14-15,21H2
InChIKeyZMFHYBZLZHBDKW-UHFFFAOYSA-N
XLogP3.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.29
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-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157907
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide
CID 113102513
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide (CID 9157994) is 4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is ZMFHYBZLZHBDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c21-18-8-12-20(13-9-18)26(23,24)22-14-15-25-19-10-6-17(7-11-19)16-4-2-1-3-5-16/h1-13,22H,14-15,21H2.
What are the key properties of 4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide?
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 9157994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).