2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride

C24H21ClN2O4S — CID 70475326

IUPAC2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride
SMILESCl.Nc1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3N)cc2)cc1
InChIInChI=1S/C24H20N2O4S.ClH/c25-21-5-1-3-7-23(21)29-17-9-13-19(14-10-17)31(27,28)20-15-11-18(12-16-20)30-24-8-4-2-6-22(24)26;/h1-16H,25-26H2;1H
InChIKeyOIJXXZFOLPVYOZ-UHFFFAOYSA-N
MW468.96 g/mol
LogP5.69
Rot. Bonds6

About 2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride

2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride (PubChem CID 70475326) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is 2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride.

Molecular Properties

Compound Name2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride
PubChem CID70475326
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride
SMILESCl.Nc1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3N)cc2)cc1
InChIInChI=1S/C24H20N2O4S.ClH/c25-21-5-1-3-7-23(21)29-17-9-13-19(14-10-17)31(27,28)20-15-11-18(12-16-20)30-24-8-4-2-6-22(24)26;/h1-16H,25-26H2;1H
InChIKeyOIJXXZFOLPVYOZ-UHFFFAOYSA-N
XLogP5.69
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.96
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
4-(2-aminophenoxy)-N-propylbenzenesulfonamide
CID 61026793
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
4-[4-[4-[4-[4-(4-aminophenoxy)phenoxy]phenyl]sulfonylphenoxy]phenoxy]aniline;benzenesulfonylbenzene
CID 158973912
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline;1,1'-biphenyl
CID 160996826
2-(4-tert-butylphenoxy)aniline
CID 26189124
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene
CID 20521157
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
N-[4-(2-aminophenoxy)phenyl]acetamide
CID 101461419
4-(2-iodophenoxy)benzenesulfonamide
CID 43479680

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride?
The IUPAC name of 2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride (CID 70475326) is 2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride.
What is the SMILES notation for 2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride?
The canonical SMILES for 2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride is Cl.Nc1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3N)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride?
The InChIKey is OIJXXZFOLPVYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S.ClH/c25-21-5-1-3-7-23(21)29-17-9-13-19(14-10-17)31(27,28)20-15-11-18(12-16-20)30-24-8-4-2-6-22(24)26;/h1-16H,25-26H2;1H.
What are the key properties of 2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride?
2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride has a molecular weight of 468.96 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-aminophenoxy)phenyl]sulfonylphenoxy]aniline;hydrochloride is sourced from PubChem (CID 70475326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).