4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride

C23H26Cl2N2O4S — CID 2967148

IUPAC4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H25ClN2O4S.ClH/c1-29-23-14-19(6-11-22(23)30-16-18-2-7-20(24)8-3-18)15-26-13-12-17-4-9-21(10-5-17)31(25,27)28;/h2-11,14,26H,12-13,15-16H2,1H3,(H2,25,27,28);1H
InChIKeyWUHSOWHQSWUPDZ-UHFFFAOYSA-N
MW497.44 g/mol
LogP4.33
Rot. Bonds10

About 4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride

4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 2967148) has the molecular formula C23H26Cl2N2O4S and a molecular weight of 497.44 g/mol. Its IUPAC name is 4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID2967148
Molecular FormulaC23H26Cl2N2O4S
Molecular Weight497.44 g/mol
Exact Mass496.10
IUPAC Name4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H25ClN2O4S.ClH/c1-29-23-14-19(6-11-22(23)30-16-18-2-7-20(24)8-3-18)15-26-13-12-17-4-9-21(10-5-17)31(25,27)28;/h2-11,14,26H,12-13,15-16H2,1H3,(H2,25,27,28);1H
InChIKeyWUHSOWHQSWUPDZ-UHFFFAOYSA-N
XLogP4.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride (CID 2967148) is 4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride is COc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is WUHSOWHQSWUPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4S.ClH/c1-29-23-14-19(6-11-22(23)30-16-18-2-7-20(24)8-3-18)15-26-13-12-17-4-9-21(10-5-17)31(25,27)28;/h2-11,14,26H,12-13,15-16H2,1H3,(H2,25,27,28);1H.
What are the key properties of 4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride?
4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 497.44 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 2967148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).