4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole

C20H21FN2O3S — CID 122520123

IUPAC4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3c(F)cccc32)cc1N1CCCCC1
InChIInChI=1S/C20H21FN2O3S/c1-26-20-9-8-15(14-19(20)22-11-3-2-4-12-22)27(24,25)23-13-10-16-17(21)6-5-7-18(16)23/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyXATDSNUIVCBOLE-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.02
Rot. Bonds4

About 4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole

4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole (PubChem CID 122520123) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
PubChem CID122520123
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3c(F)cccc32)cc1N1CCCCC1
InChIInChI=1S/C20H21FN2O3S/c1-26-20-9-8-15(14-19(20)22-11-3-2-4-12-22)27(24,25)23-13-10-16-17(21)6-5-7-18(16)23/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyXATDSNUIVCBOLE-UHFFFAOYSA-N
XLogP4.02
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The IUPAC name of 4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole (CID 122520123) is 4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole.
What is the SMILES notation for 4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The canonical SMILES for 4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole is COc1ccc(S(=O)(=O)n2ccc3c(F)cccc32)cc1N1CCCCC1.
What is the InChIKey of 4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The InChIKey is XATDSNUIVCBOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-26-20-9-8-15(14-19(20)22-11-3-2-4-12-22)27(24,25)23-13-10-16-17(21)6-5-7-18(16)23/h5-10,13-14H,2-4,11-12H2,1H3.
What are the key properties of 4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole has a molecular weight of 388.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole is sourced from PubChem (CID 122520123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).