3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole

C20H21FN2O3S — CID 46880529

IUPAC3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole
SMILESCOc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2C1CCCNC1
InChIInChI=1S/C20H21FN2O3S/c1-26-16-7-8-19-18(11-16)20(13-23(19)15-5-3-9-22-12-15)27(24,25)17-6-2-4-14(21)10-17/h2,4,6-8,10-11,13,15,22H,3,5,9,12H2,1H3
InChIKeyNFVSQUPZIYCBJF-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.55
Rot. Bonds4

About 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole

3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole (PubChem CID 46880529) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole
PubChem CID46880529
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole
SMILESCOc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2C1CCCNC1
InChIInChI=1S/C20H21FN2O3S/c1-26-16-7-8-19-18(11-16)20(13-23(19)15-5-3-9-22-12-15)27(24,25)17-6-2-4-14(21)10-17/h2,4,6-8,10-11,13,15,22H,3,5,9,12H2,1H3
InChIKeyNFVSQUPZIYCBJF-UHFFFAOYSA-N
XLogP3.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole (CID 46880529) is 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole is COc1ccc2c(c1)c(S(=O)(=O)c1cccc(F)c1)cn2C1CCCNC1.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole?
The InChIKey is NFVSQUPZIYCBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-26-16-7-8-19-18(11-16)20(13-23(19)15-5-3-9-22-12-15)27(24,25)17-6-2-4-14(21)10-17/h2,4,6-8,10-11,13,15,22H,3,5,9,12H2,1H3.
What are the key properties of 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole?
3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole has a molecular weight of 388.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-5-methoxy-1-piperidin-3-ylindole is sourced from PubChem (CID 46880529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).