4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride

C22H24Cl2N2O3S — CID 2969266

IUPAC4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN2O3S.ClH/c23-20-9-5-18(6-10-20)16-28-22-4-2-1-3-19(22)15-25-14-13-17-7-11-21(12-8-17)29(24,26)27;/h1-12,25H,13-16H2,(H2,24,26,27);1H
InChIKeyJUWFYZLTJWJGRL-UHFFFAOYSA-N
MW467.42 g/mol
LogP4.32
Rot. Bonds9

About 4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride

4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 2969266) has the molecular formula C22H24Cl2N2O3S and a molecular weight of 467.42 g/mol. Its IUPAC name is 4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID2969266
Molecular FormulaC22H24Cl2N2O3S
Molecular Weight467.42 g/mol
Exact Mass466.09
IUPAC Name4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN2O3S.ClH/c23-20-9-5-18(6-10-20)16-28-22-4-2-1-3-19(22)15-25-14-13-17-7-11-21(12-8-17)29(24,26)27;/h1-12,25H,13-16H2,(H2,24,26,27);1H
InChIKeyJUWFYZLTJWJGRL-UHFFFAOYSA-N
XLogP4.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride (CID 2969266) is 4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is JUWFYZLTJWJGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S.ClH/c23-20-9-5-18(6-10-20)16-28-22-4-2-1-3-19(22)15-25-14-13-17-7-11-21(12-8-17)29(24,26)27;/h1-12,25H,13-16H2,(H2,24,26,27);1H.
What are the key properties of 4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 467.42 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 2969266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).