3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline

C21H16Cl2N2O3S — CID 164606555

IUPAC3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline
SMILESCc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Oc4ccc(N)cc4Cl)ccc32)cc1
InChIInChI=1S/C21H16Cl2N2O3S/c1-13-2-5-15(6-3-13)29(26,27)25-11-10-16-18(25)7-9-20(21(16)23)28-19-8-4-14(24)12-17(19)22/h2-12H,24H2,1H3
InChIKeyLPMHSCZKNHCHGE-UHFFFAOYSA-N
MW447.34 g/mol
LogP5.87
Rot. Bonds4

About 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline

3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline (PubChem CID 164606555) has the molecular formula C21H16Cl2N2O3S and a molecular weight of 447.34 g/mol. Its IUPAC name is 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline.

Molecular Properties

Compound Name3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline
PubChem CID164606555
Molecular FormulaC21H16Cl2N2O3S
Molecular Weight447.34 g/mol
Exact Mass446.03
IUPAC Name3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline
SMILESCc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Oc4ccc(N)cc4Cl)ccc32)cc1
InChIInChI=1S/C21H16Cl2N2O3S/c1-13-2-5-15(6-3-13)29(26,27)25-11-10-16-18(25)7-9-20(21(16)23)28-19-8-4-14(24)12-17(19)22/h2-12H,24H2,1H3
InChIKeyLPMHSCZKNHCHGE-UHFFFAOYSA-N
XLogP5.87
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-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

4-ethenyl-5-(3-isocyanophenoxy)-1-(4-methylphenyl)sulfonylindole
CID 171771328
3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)indol-5-yl]oxyaniline
CID 155268561
4-bromo-5-(3-isocyanophenoxy)-1-(4-methylphenyl)sulfonylindole
CID 171771360
1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
CID 13115093
3,5-dichloro-4-[1-(4-methylphenyl)sulfonyl-3-(1,1,1-trifluoropropan-2-yl)indol-5-yl]oxyaniline
CID 155268692
3-chloro-4-(2,5-dimethylphenoxy)benzenesulfonamide
CID 61373514
1-[6-chloro-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-5-yl]ethanamine
CID 86689850
methyl 5-[3-[(Z)-C-aminocarbonohydrazonoyl]phenoxy]-1-(4-methylphenyl)sulfonylindole-4-carboxylate
CID 167504646
1-(benzenesulfonyl)-5-methoxyindole-4-carbaldehyde
CID 86618256
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703
4-(2-tert-butyl-5-methylphenoxy)-3-chloroaniline
CID 29012989
5-chloro-1-(4-methylphenyl)sulfonylindole;ethyl formate
CID 174618464

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline?
The IUPAC name of 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline (CID 164606555) is 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline.
What is the SMILES notation for 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline?
The canonical SMILES for 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline is Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(Oc4ccc(N)cc4Cl)ccc32)cc1.
What is the InChIKey of 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline?
The InChIKey is LPMHSCZKNHCHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3S/c1-13-2-5-15(6-3-13)29(26,27)25-11-10-16-18(25)7-9-20(21(16)23)28-19-8-4-14(24)12-17(19)22/h2-12H,24H2,1H3.
What are the key properties of 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline?
3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline has a molecular weight of 447.34 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-chloro-1-(4-methylphenyl)sulfonylindol-5-yl]oxyaniline is sourced from PubChem (CID 164606555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).