3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole

C21H23FN2O3S — CID 46880530

IUPAC3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole
SMILESCOc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2C1CCCN(C)C1
InChIInChI=1S/C21H23FN2O3S/c1-23-10-4-6-16(13-23)24-14-21(19-12-17(27-2)8-9-20(19)24)28(25,26)18-7-3-5-15(22)11-18/h3,5,7-9,11-12,14,16H,4,6,10,13H2,1-2H3
InChIKeyUARNXWMBTDEUME-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.89
Rot. Bonds4

About 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole

3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole (PubChem CID 46880530) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole
PubChem CID46880530
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole
SMILESCOc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2C1CCCN(C)C1
InChIInChI=1S/C21H23FN2O3S/c1-23-10-4-6-16(13-23)24-14-21(19-12-17(27-2)8-9-20(19)24)28(25,26)18-7-3-5-15(22)11-18/h3,5,7-9,11-12,14,16H,4,6,10,13H2,1-2H3
InChIKeyUARNXWMBTDEUME-UHFFFAOYSA-N
XLogP3.89
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole (CID 46880530) is 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole is COc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2C1CCCN(C)C1.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole?
The InChIKey is UARNXWMBTDEUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c1-23-10-4-6-16(13-23)24-14-21(19-12-17(27-2)8-9-20(19)24)28(25,26)18-7-3-5-15(22)11-18/h3,5,7-9,11-12,14,16H,4,6,10,13H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole?
3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole has a molecular weight of 402.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-(1-methylpiperidin-3-yl)indole is sourced from PubChem (CID 46880530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).