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

C20H21FN2O3S — CID 122520129

IUPAC6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1N1CCCCC1
InChIInChI=1S/C20H21FN2O3S/c1-26-20-8-7-17(14-19(20)22-10-3-2-4-11-22)27(24,25)23-12-9-15-5-6-16(21)13-18(15)23/h5-9,12-14H,2-4,10-11H2,1H3
InChIKeyFYYOMQWTTNDYIA-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.02
Rot. Bonds4

About 6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole

6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole (PubChem CID 122520129) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
PubChem CID122520129
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1N1CCCCC1
InChIInChI=1S/C20H21FN2O3S/c1-26-20-8-7-17(14-19(20)22-10-3-2-4-11-22)27(24,25)23-12-9-15-5-6-16(21)13-18(15)23/h5-9,12-14H,2-4,10-11H2,1H3
InChIKeyFYYOMQWTTNDYIA-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 6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The IUPAC name of 6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole (CID 122520129) is 6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole.
What is the SMILES notation for 6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The canonical SMILES for 6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole is COc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1N1CCCCC1.
What is the InChIKey of 6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The InChIKey is FYYOMQWTTNDYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-26-20-8-7-17(14-19(20)22-10-3-2-4-11-22)27(24,25)23-12-9-15-5-6-16(21)13-18(15)23/h5-9,12-14H,2-4,10-11H2,1H3.
What are the key properties of 6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
6-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 6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole is sourced from PubChem (CID 122520129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).