7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole

C19H20ClN3S — CID 11523308

IUPAC7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole
SMILESCN1CCN(c2ccccc2Sc2c[nH]c3c(Cl)cccc23)CC1
InChIInChI=1S/C19H20ClN3S/c1-22-9-11-23(12-10-22)16-7-2-3-8-17(16)24-18-13-21-19-14(18)5-4-6-15(19)20/h2-8,13,21H,9-12H2,1H3
InChIKeyGNPGAUKZRYTNEE-UHFFFAOYSA-N
MW357.91 g/mol
LogP4.72
Rot. Bonds3

About 7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole

7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole (PubChem CID 11523308) has the molecular formula C19H20ClN3S and a molecular weight of 357.91 g/mol. Its IUPAC name is 7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole.

Molecular Properties

Compound Name7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole
PubChem CID11523308
Molecular FormulaC19H20ClN3S
Molecular Weight357.91 g/mol
Exact Mass357.11
IUPAC Name7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole
SMILESCN1CCN(c2ccccc2Sc2c[nH]c3c(Cl)cccc23)CC1
InChIInChI=1S/C19H20ClN3S/c1-22-9-11-23(12-10-22)16-7-2-3-8-17(16)24-18-13-21-19-14(18)5-4-6-15(19)20/h2-8,13,21H,9-12H2,1H3
InChIKeyGNPGAUKZRYTNEE-UHFFFAOYSA-N
XLogP4.72
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole
CID 11595366
7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole
CID 11617079
3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 22019440
1-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)indazole
CID 15117077
8-chloro-4-(4-methylpiperazin-1-yl)cinnoline
CID 20922963
5-fluoro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole
CID 11695567
1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43280415
1-(2-bromophenyl)sulfanyl-2,4-dimethylbenzene;1-[2-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylpiperazine;1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperidine;1-methylpiperazine
CID 161099732
2-(7-chloro-1H-indol-3-yl)quinoline
CID 118449837
1-[2-(bromomethyl)-3-chlorophenyl]-4-methyl-1,4-diazepane
CID 107079656
1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride
CID 53237898
2-chloro-N'-hydroxy-6-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 76945351

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole?
The IUPAC name of 7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole (CID 11523308) is 7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole.
What is the SMILES notation for 7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole?
The canonical SMILES for 7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole is CN1CCN(c2ccccc2Sc2c[nH]c3c(Cl)cccc23)CC1.
What is the InChIKey of 7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole?
The InChIKey is GNPGAUKZRYTNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3S/c1-22-9-11-23(12-10-22)16-7-2-3-8-17(16)24-18-13-21-19-14(18)5-4-6-15(19)20/h2-8,13,21H,9-12H2,1H3.
What are the key properties of 7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole?
7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole has a molecular weight of 357.91 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole is sourced from PubChem (CID 11523308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).