4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide

C24H25Cl2FN2O4S — CID 66531710

IUPAC4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide
SMILESCCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)c(Cl)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C24H25Cl2FN2O4S/c1-2-32-23-12-17(14-29-11-10-16-6-8-18(9-7-16)34(28,30)31)21(26)13-24(23)33-15-19-20(25)4-3-5-22(19)27/h3-9,12-13,29H,2,10-11,14-15H2,1H3,(H2,28,30,31)
InChIKeyNCBUIROBFXXEKW-UHFFFAOYSA-N
MW527.45 g/mol
LogP5.09
Rot. Bonds11

About 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide

4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide (PubChem CID 66531710) has the molecular formula C24H25Cl2FN2O4S and a molecular weight of 527.45 g/mol. Its IUPAC name is 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide
PubChem CID66531710
Molecular FormulaC24H25Cl2FN2O4S
Molecular Weight527.45 g/mol
Exact Mass526.09
IUPAC Name4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide
SMILESCCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)c(Cl)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C24H25Cl2FN2O4S/c1-2-32-23-12-17(14-29-11-10-16-6-8-18(9-7-16)34(28,30)31)21(26)13-24(23)33-15-19-20(25)4-3-5-22(19)27/h3-9,12-13,29H,2,10-11,14-15H2,1H3,(H2,28,30,31)
InChIKeyNCBUIROBFXXEKW-UHFFFAOYSA-N
XLogP5.09
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.45
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 66532444
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66531671
4-[2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 4719664
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]heptan-1-amine
CID 66531690
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 66532151
4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 2969096
4-[2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide
CID 4718398
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66531741
4-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292800
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 66530676
4-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide
CID 17212596
4-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17212595

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide (CID 66531710) is 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide is CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)c(Cl)cc1OCc1c(F)cccc1Cl.
What is the InChIKey of 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide?
The InChIKey is NCBUIROBFXXEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2FN2O4S/c1-2-32-23-12-17(14-29-11-10-16-6-8-18(9-7-16)34(28,30)31)21(26)13-24(23)33-15-19-20(25)4-3-5-22(19)27/h3-9,12-13,29H,2,10-11,14-15H2,1H3,(H2,28,30,31).
What are the key properties of 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide?
4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide has a molecular weight of 527.45 g/mol, XLogP of 5.09, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 66531710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).