3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole

C20H20F3N3O3S — CID 122520147

IUPAC3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole
SMILESCOc1ccc(S(=O)(=O)n2nc(C(F)F)c3ccc(F)cc32)cc1N1CCCCC1
InChIInChI=1S/C20H20F3N3O3S/c1-29-18-8-6-14(12-17(18)25-9-3-2-4-10-25)30(27,28)26-16-11-13(21)5-7-15(16)19(24-26)20(22)23/h5-8,11-12,20H,2-4,9-10H2,1H3
InChIKeyBPFUNOAAGNDZAQ-UHFFFAOYSA-N
MW439.46 g/mol
LogP4.35
Rot. Bonds5

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

3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole (PubChem CID 122520147) has the molecular formula C20H20F3N3O3S and a molecular weight of 439.46 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole.

Molecular Properties

Compound Name3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole
PubChem CID122520147
Molecular FormulaC20H20F3N3O3S
Molecular Weight439.46 g/mol
Exact Mass439.12
IUPAC Name3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole
SMILESCOc1ccc(S(=O)(=O)n2nc(C(F)F)c3ccc(F)cc32)cc1N1CCCCC1
InChIInChI=1S/C20H20F3N3O3S/c1-29-18-8-6-14(12-17(18)25-9-3-2-4-10-25)30(27,28)26-16-11-13(21)5-7-15(16)19(24-26)20(22)23/h5-8,11-12,20H,2-4,9-10H2,1H3
InChIKeyBPFUNOAAGNDZAQ-UHFFFAOYSA-N
XLogP4.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindazole
CID 118181450
5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520126
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
2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
CID 141378699
7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520130
2,2,2-trichloro-1-[4-[5-[3-(difluoromethyl)-5-fluoroindol-1-yl]sulfonyl-2-methoxyphenyl]piperazin-1-yl]ethanone
CID 122506154
2,2,2-trifluoro-1-[4-[5-[6-fluoro-3-(methoxymethyl)indol-1-yl]sulfonyl-2-methoxyphenyl]piperazin-1-yl]ethanone
CID 122506174
3-(difluoromethyl)-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-6-methylindole
CID 122520138
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 86959908

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole?
The IUPAC name of 3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole (CID 122520147) is 3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole.
What is the SMILES notation for 3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole?
The canonical SMILES for 3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole is COc1ccc(S(=O)(=O)n2nc(C(F)F)c3ccc(F)cc32)cc1N1CCCCC1.
What is the InChIKey of 3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole?
The InChIKey is BPFUNOAAGNDZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3S/c1-29-18-8-6-14(12-17(18)25-9-3-2-4-10-25)30(27,28)26-16-11-13(21)5-7-15(16)19(24-26)20(22)23/h5-8,11-12,20H,2-4,9-10H2,1H3.
What are the key properties of 3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole?
3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole has a molecular weight of 439.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole is sourced from PubChem (CID 122520147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).