4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole

C20H21ClFN3S — CID 10110928

IUPAC4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole
SMILESFc1ccc(SCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1
InChIInChI=1S/C20H21ClFN3S/c21-17-14-15(22)4-5-20(17)26-13-12-24-8-10-25(11-9-24)19-3-1-2-18-16(19)6-7-23-18/h1-7,14,23H,8-13H2
InChIKeyIHPGJGDGEWCKAT-UHFFFAOYSA-N
MW389.93 g/mol
LogP4.87
Rot. Bonds5

About 4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole

4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole (PubChem CID 10110928) has the molecular formula C20H21ClFN3S and a molecular weight of 389.93 g/mol. Its IUPAC name is 4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole
PubChem CID10110928
Molecular FormulaC20H21ClFN3S
Molecular Weight389.93 g/mol
Exact Mass389.11
IUPAC Name4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole
SMILESFc1ccc(SCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1
InChIInChI=1S/C20H21ClFN3S/c21-17-14-15(22)4-5-20(17)26-13-12-24-8-10-25(11-9-24)19-3-1-2-18-16(19)6-7-23-18/h1-7,14,23H,8-13H2
InChIKeyIHPGJGDGEWCKAT-UHFFFAOYSA-N
XLogP4.87
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-Chlorophenyl)sulfonyl]-4-(1-piperazinyl)-1H-indole
CID 10270854
3-Chloro-1-(3-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 17978408
US9974785, Example 6
CID 118654354
US9974785, Example 3
CID 118654432
4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1H-indole
CID 2729517
4-(4-Benzyl-piperazin-1-yl)-5-chloro-1H-indole
CID 44323978
1-(2-Chlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10156341
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole
CID 511482
5-Chloro-3-(1-methyl-piperidin-4-ylsulfanyl)-1H-indole
CID 10107737
1-(4-Chlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10273087
1-[(3-Chlorophenyl)methyl]-4-piperazin-1-ylindole
CID 90109808
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole
CID 155526720

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole (CID 10110928) is 4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole is Fc1ccc(SCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1.
What is the InChIKey of 4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole?
The InChIKey is IHPGJGDGEWCKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3S/c21-17-14-15(22)4-5-20(17)26-13-12-24-8-10-25(11-9-24)19-3-1-2-18-16(19)6-7-23-18/h1-7,14,23H,8-13H2.
What are the key properties of 4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole?
4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole has a molecular weight of 389.93 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-chloro-4-fluorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 10110928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).