[(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone

C26H26FN3O3S — CID 92671247

IUPAC[(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESC[C@@H]1Cc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H26FN3O3S/c1-19-17-21-18-20(26(31)29-15-13-28(14-16-29)23-5-3-2-4-6-23)7-12-25(21)30(19)34(32,33)24-10-8-22(27)9-11-24/h2-12,18-19H,13-17H2,1H3/t19-/m1/s1
InChIKeyWAPFQUINZUJRFJ-LJQANCHMSA-N
MW479.58 g/mol
LogP3.93
Rot. Bonds4

About [(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone

[(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 92671247) has the molecular formula C26H26FN3O3S and a molecular weight of 479.58 g/mol. Its IUPAC name is [(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID92671247
Molecular FormulaC26H26FN3O3S
Molecular Weight479.58 g/mol
Exact Mass479.17
IUPAC Name[(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESC[C@@H]1Cc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H26FN3O3S/c1-19-17-21-18-20(26(31)29-15-13-28(14-16-29)23-5-3-2-4-6-23)7-12-25(21)30(19)34(32,33)24-10-8-22(27)9-11-24/h2-12,18-19H,13-17H2,1H3/t19-/m1/s1
InChIKeyWAPFQUINZUJRFJ-LJQANCHMSA-N
XLogP3.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]methanone
CID 99938930
[4-(4-fluorophenyl)piperazin-1-yl]-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9207276
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9207273
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 46522258
[(2S)-1-ethylsulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92671043
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 87029983
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
CID 92671117
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671105
(2S)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671088
(2R)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671089
[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 43050318

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 92671247) is [(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone is C[C@@H]1Cc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WAPFQUINZUJRFJ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26FN3O3S/c1-19-17-21-18-20(26(31)29-15-13-28(14-16-29)23-5-3-2-4-6-23)7-12-25(21)30(19)34(32,33)24-10-8-22(27)9-11-24/h2-12,18-19H,13-17H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 479.58 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 92671247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).