5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole

C23H19Cl2NO3S — CID 53469269

IUPAC5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole
SMILESCOc1cc(Sc2c(-c3ccc(Cl)cc3)[nH]c3ccc(Cl)cc23)cc(OC)c1OC
InChIInChI=1S/C23H19Cl2NO3S/c1-27-19-11-16(12-20(28-2)22(19)29-3)30-23-17-10-15(25)8-9-18(17)26-21(23)13-4-6-14(24)7-5-13/h4-12,26H,1-3H3
InChIKeyGIGZLJUUGYCIOR-UHFFFAOYSA-N
MW460.38 g/mol
LogP7.32
Rot. Bonds6

About 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole

5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole (PubChem CID 53469269) has the molecular formula C23H19Cl2NO3S and a molecular weight of 460.38 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole
PubChem CID53469269
Molecular FormulaC23H19Cl2NO3S
Molecular Weight460.38 g/mol
Exact Mass459.05
IUPAC Name5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole
SMILESCOc1cc(Sc2c(-c3ccc(Cl)cc3)[nH]c3ccc(Cl)cc23)cc(OC)c1OC
InChIInChI=1S/C23H19Cl2NO3S/c1-27-19-11-16(12-20(28-2)22(19)29-3)30-23-17-10-15(25)8-9-18(17)26-21(23)13-4-6-14(24)7-5-13/h4-12,26H,1-3H3
InChIKeyGIGZLJUUGYCIOR-UHFFFAOYSA-N
XLogP7.32
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole 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

5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole
CID 56683455
5-chloro-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 122183348
6-chloro-4-methoxy-1H-quinolin-2-one
CID 67443391
5-chloro-3-(3,5-dimethoxyphenyl)sulfanyl-1H-indole-2-carboxylic acid
CID 11545071
5-(4-chlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine
CID 155552377
methyl 5-chloro-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylate
CID 10903684
5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole
CID 143870441
5-chloro-N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 5115206
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3892528
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2,4-dimethoxybenzamide
CID 5082570
5-chloro-3-methoxy-1H-indole-2-carbaldehyde
CID 82394983
ethyl 5-chloro-3-(4-methoxyphenyl)sulfanyl-1H-indole-2-carboxylate
CID 146173933

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole (CID 53469269) is 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole is COc1cc(Sc2c(-c3ccc(Cl)cc3)[nH]c3ccc(Cl)cc23)cc(OC)c1OC.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole?
The InChIKey is GIGZLJUUGYCIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO3S/c1-27-19-11-16(12-20(28-2)22(19)29-3)30-23-17-10-15(25)8-9-18(17)26-21(23)13-4-6-14(24)7-5-13/h4-12,26H,1-3H3.
What are the key properties of 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole?
5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole has a molecular weight of 460.38 g/mol, XLogP of 7.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole is sourced from PubChem (CID 53469269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).