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

C19H20FN3S — CID 11617079

IUPAC7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole
SMILESCN1CCN(c2ccccc2Sc2c[nH]c3c(F)cccc23)CC1
InChIInChI=1S/C19H20FN3S/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
InChIKeyZXMWKRMYAYICEF-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.21
Rot. Bonds3

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

7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole (PubChem CID 11617079) has the molecular formula C19H20FN3S and a molecular weight of 341.46 g/mol. Its IUPAC name is 7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole.

Molecular Properties

Compound Name7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole
PubChem CID11617079
Molecular FormulaC19H20FN3S
Molecular Weight341.46 g/mol
Exact Mass341.14
IUPAC Name7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole
SMILESCN1CCN(c2ccccc2Sc2c[nH]c3c(F)cccc23)CC1
InChIInChI=1S/C19H20FN3S/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
InChIKeyZXMWKRMYAYICEF-UHFFFAOYSA-N
XLogP4.21
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole
CID 11523308
7-chloro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole
CID 11595366
5-fluoro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole
CID 11695567
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
7-fluoro-3-propan-2-yl-1H-indole
CID 86276645
7-fluoro-3-methyl-1H-indole
CID 55287812
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
CID 84632846
1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride
CID 53237898
2-fluoro-6-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 47114120
1-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]pyrrolidine
CID 168513198
3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 22019440

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole?
The IUPAC name of 7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole (CID 11617079) is 7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole.
What is the SMILES notation for 7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole?
The canonical SMILES for 7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole is CN1CCN(c2ccccc2Sc2c[nH]c3c(F)cccc23)CC1.
What is the InChIKey of 7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole?
The InChIKey is ZXMWKRMYAYICEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3S/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-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole?
7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole has a molecular weight of 341.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-(4-methylpiperazin-1-yl)phenyl]sulfanyl-1H-indole is sourced from PubChem (CID 11617079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).