3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline

C25H24Cl2N2O3S — CID 155268561

IUPAC3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline
SMILESCc1ccc(S(=O)(=O)n2cc(CC(C)C)c3cc(Oc4c(Cl)cc(N)cc4Cl)ccc32)cc1
InChIInChI=1S/C25H24Cl2N2O3S/c1-15(2)10-17-14-29(33(30,31)20-7-4-16(3)5-8-20)24-9-6-19(13-21(17)24)32-25-22(26)11-18(28)12-23(25)27/h4-9,11-15H,10,28H2,1-3H3
InChIKeyLUZIZPXEDZONTH-UHFFFAOYSA-N
MW503.45 g/mol
LogP7.07
Rot. Bonds6

About 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline

3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline (PubChem CID 155268561) has the molecular formula C25H24Cl2N2O3S and a molecular weight of 503.45 g/mol. Its IUPAC name is 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline.

Molecular Properties

Compound Name3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline
PubChem CID155268561
Molecular FormulaC25H24Cl2N2O3S
Molecular Weight503.45 g/mol
Exact Mass502.09
IUPAC Name3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline
SMILESCc1ccc(S(=O)(=O)n2cc(CC(C)C)c3cc(Oc4c(Cl)cc(N)cc4Cl)ccc32)cc1
InChIInChI=1S/C25H24Cl2N2O3S/c1-15(2)10-17-14-29(33(30,31)20-7-4-16(3)5-8-20)24-9-6-19(13-21(17)24)32-25-22(26)11-18(28)12-23(25)27/h4-9,11-15H,10,28H2,1-3H3
InChIKeyLUZIZPXEDZONTH-UHFFFAOYSA-N
XLogP7.07
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.45
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline 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

3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(1,1,1-trifluoropropan-2-yl)indol-5-yl]oxyaniline
CID 155268692
ethyl N-[2-cyano-2-[[3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyphenyl]hydrazinylidene]acetyl]carbamate
CID 162768276
1-[5-(2,6-dichloro-4-nitrophenoxy)-1-(4-methylphenyl)sulfonylindol-3-yl]-2-methylpropan-1-one
CID 155268336
5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 143660405
3-(chloromethyl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 69192857
[(2Z)-2-cyano-2-[[3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-propylindol-5-yl]oxyphenyl]hydrazinylidene]acetyl]carbamic acid
CID 155268856
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
5-(bromomethyl)-3-(2,2-difluoroethyl)-1-(4-methylphenyl)sulfonylindole
CID 57386816
methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate
CID 11538315
5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10024749
3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline
CID 164606555

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline?
The IUPAC name of 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline (CID 155268561) is 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline.
What is the SMILES notation for 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline?
The canonical SMILES for 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline is Cc1ccc(S(=O)(=O)n2cc(CC(C)C)c3cc(Oc4c(Cl)cc(N)cc4Cl)ccc32)cc1.
What is the InChIKey of 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline?
The InChIKey is LUZIZPXEDZONTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O3S/c1-15(2)10-17-14-29(33(30,31)20-7-4-16(3)5-8-20)24-9-6-19(13-21(17)24)32-25-22(26)11-18(28)12-23(25)27/h4-9,11-15H,10,28H2,1-3H3.
What are the key properties of 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline?
3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline has a molecular weight of 503.45 g/mol, XLogP of 7.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline is sourced from PubChem (CID 155268561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).