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

C20H21FN2O3S — CID 122520130

IUPAC7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3cccc(F)c32)cc1N1CCCCC1
InChIInChI=1S/C20H21FN2O3S/c1-26-19-9-8-16(14-18(19)22-11-3-2-4-12-22)27(24,25)23-13-10-15-6-5-7-17(21)20(15)23/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyZXNGITDSESWJSS-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.02
Rot. Bonds4

About 7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole

7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole (PubChem CID 122520130) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
PubChem CID122520130
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3cccc(F)c32)cc1N1CCCCC1
InChIInChI=1S/C20H21FN2O3S/c1-26-19-9-8-16(14-18(19)22-11-3-2-4-12-22)27(24,25)23-13-10-15-6-5-7-17(21)20(15)23/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyZXNGITDSESWJSS-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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Related Compounds

5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520126
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole
CID 122520140
1-[3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonyl-4-ethylpiperazine
CID 46088911
6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole
CID 118181432
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520136
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole-5-carbonitrile
CID 118181439
3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole
CID 122520147
(2,6-difluorophenyl)-[4-[2-methoxy-5-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperazin-1-yl]methanone
CID 92768763
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927
N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide
CID 126550283
2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 46088880

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The IUPAC name of 7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole (CID 122520130) is 7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole.
What is the SMILES notation for 7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The canonical SMILES for 7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole is COc1ccc(S(=O)(=O)n2ccc3cccc(F)c32)cc1N1CCCCC1.
What is the InChIKey of 7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The InChIKey is ZXNGITDSESWJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-26-19-9-8-16(14-18(19)22-11-3-2-4-12-22)27(24,25)23-13-10-15-6-5-7-17(21)20(15)23/h5-10,13-14H,2-4,11-12H2,1H3.
What are the key properties of 7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
7-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 7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole is sourced from PubChem (CID 122520130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).