(6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

C21H20F3N3O4S — CID 46556266

IUPAC(6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)[nH]c2c1
InChIInChI=1S/C21H20F3N3O4S/c1-31-16-6-5-14-11-19(25-18(14)13-16)20(28)26-7-9-27(10-8-26)32(29,30)17-4-2-3-15(12-17)21(22,23)24/h2-6,11-13,25H,7-10H2,1H3
InChIKeyQBQZAHZJCWXVGJ-UHFFFAOYSA-N
MW467.47 g/mol
LogP3.34
Rot. Bonds4

About (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

(6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 46556266) has the molecular formula C21H20F3N3O4S and a molecular weight of 467.47 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID46556266
Molecular FormulaC21H20F3N3O4S
Molecular Weight467.47 g/mol
Exact Mass467.11
IUPAC Name(6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)[nH]c2c1
InChIInChI=1S/C21H20F3N3O4S/c1-31-16-6-5-14-11-19(25-18(14)13-16)20(28)26-7-9-27(10-8-26)32(29,30)17-4-2-3-15(12-17)21(22,23)24/h2-6,11-13,25H,7-10H2,1H3
InChIKeyQBQZAHZJCWXVGJ-UHFFFAOYSA-N
XLogP3.34
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

L-756568
CID 9805998
3-(4-Methoxyphenyl)-N-(Phenylsulfonyl)-1-[3-(Trifluoromethyl)benzyl]-1h-Indole-2-Carboxamide
CID 9549238
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600565
(6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4905344
1-(3-methoxyphenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801212
(S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl-ethoxy)-1H-indole-2-carbonyl]-amino}-propionic acid
CID 15838053
2-{[3-(4-methoxy-phenyl)-1-(3-trifluoromethyl-benzyl)-1H-indole-2-carbonyl]-sulfamoyl}-benzoic acid methyl ester
CID 44419255
(4-methoxyphenyl)[1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-2-yl]methanone
CID 2739969
(4-ethylpiperazin-1-yl)(6-methoxy-1H-indol-2-yl)methanone
CID 4905025
N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 4905426
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 4909393
N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide
CID 4971710

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (CID 46556266) is (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is QBQZAHZJCWXVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4S/c1-31-16-6-5-14-11-19(25-18(14)13-16)20(28)26-7-9-27(10-8-26)32(29,30)17-4-2-3-15(12-17)21(22,23)24/h2-6,11-13,25H,7-10H2,1H3.
What are the key properties of (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
(6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 467.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 46556266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).