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

C20H21FN2O3S — CID 122520126

IUPAC5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1N1CCCCC1
InChIInChI=1S/C20H21FN2O3S/c1-26-20-8-6-17(14-19(20)22-10-3-2-4-11-22)27(24,25)23-12-9-15-13-16(21)5-7-18(15)23/h5-9,12-14H,2-4,10-11H2,1H3
InChIKeyWHHMJUIBHXXMON-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.02
Rot. Bonds4

About 5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole

5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole (PubChem CID 122520126) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
PubChem CID122520126
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1N1CCCCC1
InChIInChI=1S/C20H21FN2O3S/c1-26-20-8-6-17(14-19(20)22-10-3-2-4-11-22)27(24,25)23-12-9-15-13-16(21)5-7-18(15)23/h5-9,12-14H,2-4,10-11H2,1H3
InChIKeyWHHMJUIBHXXMON-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

7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520130
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
6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole
CID 118181432
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
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520136
1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
CID 69051523
1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-propylpiperazin-1-yl)indole;hydrochloride
CID 141089039
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 86959908
2,2,2-trichloro-1-[4-[5-[3-(difluoromethyl)-5-fluoroindol-1-yl]sulfonyl-2-methoxyphenyl]piperazin-1-yl]ethanone
CID 122506154

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The IUPAC name of 5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole (CID 122520126) is 5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole.
What is the SMILES notation for 5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The canonical SMILES for 5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole is COc1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1N1CCCCC1.
What is the InChIKey of 5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
The InChIKey is WHHMJUIBHXXMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-26-20-8-6-17(14-19(20)22-10-3-2-4-11-22)27(24,25)23-12-9-15-13-16(21)5-7-18(15)23/h5-9,12-14H,2-4,10-11H2,1H3.
What are the key properties of 5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole?
5-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 5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole is sourced from PubChem (CID 122520126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).