3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole

C22H24F2N2O3S — CID 122520140

IUPAC3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole
SMILESCOc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(C)cc32)cc1N1CCCCC1
InChIInChI=1S/C22H24F2N2O3S/c1-15-6-8-17-18(22(23)24)14-26(19(17)12-15)30(27,28)16-7-9-21(29-2)20(13-16)25-10-4-3-5-11-25/h6-9,12-14,22H,3-5,10-11H2,1-2H3
InChIKeyLLDVQGDTVURXSN-UHFFFAOYSA-N
MW434.51 g/mol
LogP5.12
Rot. Bonds5

About 3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole

3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole (PubChem CID 122520140) has the molecular formula C22H24F2N2O3S and a molecular weight of 434.51 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole
PubChem CID122520140
Molecular FormulaC22H24F2N2O3S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole
SMILESCOc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(C)cc32)cc1N1CCCCC1
InChIInChI=1S/C22H24F2N2O3S/c1-15-6-8-17-18(22(23)24)14-26(19(17)12-15)30(27,28)16-7-9-21(29-2)20(13-16)25-10-4-3-5-11-25/h6-9,12-14,22H,3-5,10-11H2,1-2H3
InChIKeyLLDVQGDTVURXSN-UHFFFAOYSA-N
XLogP5.12
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethyl)-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-6-methylindole
CID 122520138
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520136
1-[3-(4-cyclopropylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-3-(difluoromethyl)-6-methylindole;5,6-dichloro-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-5,6-difluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole;3-(difluoromethyl)-1-[3-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]sulfonyl-6-methylindole
CID 158890769
2,2,2-trichloro-1-[4-[5-[3-(difluoromethyl)-5-fluoroindol-1-yl]sulfonyl-2-methoxyphenyl]piperazin-1-yl]ethanone
CID 122506154
3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole
CID 122520147
6-bromo-3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-piperidin-1-ylindole
CID 162086301
5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520126
6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde
CID 118173777
7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520130
2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine
CID 141378690
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-4-ylphenyl)sulfonylindole
CID 118181457
1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole-3-carbonitrile
CID 118181405

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole?
The IUPAC name of 3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole (CID 122520140) is 3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole.
What is the SMILES notation for 3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole?
The canonical SMILES for 3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole is COc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(C)cc32)cc1N1CCCCC1.
What is the InChIKey of 3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole?
The InChIKey is LLDVQGDTVURXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3S/c1-15-6-8-17-18(22(23)24)14-26(19(17)12-15)30(27,28)16-7-9-21(29-2)20(13-16)25-10-4-3-5-11-25/h6-9,12-14,22H,3-5,10-11H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole?
3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole has a molecular weight of 434.51 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole is sourced from PubChem (CID 122520140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).