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

C22H24Cl2N2O3S — CID 17292545

IUPAC4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H23ClN2O3S.ClH/c23-20-7-1-19(2-8-20)16-28-21-9-3-18(4-10-21)15-25-14-13-17-5-11-22(12-6-17)29(24,26)27;/h1-12,25H,13-16H2,(H2,24,26,27);1H
InChIKeyMTHPWVIRBWCBBB-UHFFFAOYSA-N
MW467.42 g/mol
LogP4.32
Rot. Bonds9

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

4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 17292545) has the molecular formula C22H24Cl2N2O3S and a molecular weight of 467.42 g/mol. Its IUPAC name is 4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID17292545
Molecular FormulaC22H24Cl2N2O3S
Molecular Weight467.42 g/mol
Exact Mass466.09
IUPAC Name4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H23ClN2O3S.ClH/c23-20-7-1-19(2-8-20)16-28-21-9-3-18(4-10-21)15-25-14-13-17-5-11-22(12-6-17)29(24,26)27;/h1-12,25H,13-16H2,(H2,24,26,27);1H
InChIKeyMTHPWVIRBWCBBB-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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Related Compounds

4-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292932
4-[2-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17212731
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
4-[2-[[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]benzenesulfonamide
CID 39915403
4-[2-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17055605
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 105350569
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549
4-[2-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17293037
4-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292800
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride (CID 17292545) is 4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is MTHPWVIRBWCBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S.ClH/c23-20-7-1-19(2-8-20)16-28-21-9-3-18(4-10-21)15-25-14-13-17-5-11-22(12-6-17)29(24,26)27;/h1-12,25H,13-16H2,(H2,24,26,27);1H.
What are the key properties of 4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
4-[2-[[4-[(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-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 17292545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).