1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C23H23F3N4O3S — CID 171429662

IUPAC1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)C3CCN(c4cccc(C5(C(F)(F)F)N=N5)c4)CC3)ccc21
InChIInChI=1S/C23H23F3N4O3S/c1-15(31)30-12-7-16-13-20(5-6-21(16)30)34(32,33)19-8-10-29(11-9-19)18-4-2-3-17(14-18)22(27-28-22)23(24,25)26/h2-6,13-14,19H,7-12H2,1H3
InChIKeyKGJGUZNWTDZGSS-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.22
Rot. Bonds4

About 1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 171429662) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is 1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID171429662
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC Name1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)C3CCN(c4cccc(C5(C(F)(F)F)N=N5)c4)CC3)ccc21
InChIInChI=1S/C23H23F3N4O3S/c1-15(31)30-12-7-16-13-20(5-6-21(16)30)34(32,33)19-8-10-29(11-9-19)18-4-2-3-17(14-18)22(27-28-22)23(24,25)26/h2-6,13-14,19H,7-12H2,1H3
InChIKeyKGJGUZNWTDZGSS-UHFFFAOYSA-N
XLogP4.22
TPSA82.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 71305140
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
(3-fluorophenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 51544824
1-acetyl-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100516505
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 171429662) is 1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)C3CCN(c4cccc(C5(C(F)(F)F)N=N5)c4)CC3)ccc21.
What is the InChIKey of 1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is KGJGUZNWTDZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c1-15(31)30-12-7-16-13-20(5-6-21(16)30)34(32,33)19-8-10-29(11-9-19)18-4-2-3-17(14-18)22(27-28-22)23(24,25)26/h2-6,13-14,19H,7-12H2,1H3.
What are the key properties of 1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 492.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 171429662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).