[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone

C26H27N3O3S — CID 25392039

IUPAC[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O3S/c1-20-18-21-8-5-6-13-25(21)29(20)26(30)22-9-7-12-24(19-22)33(31,32)28-16-14-27(15-17-28)23-10-3-2-4-11-23/h2-13,19-20H,14-18H2,1H3/t20-/m0/s1
InChIKeyFYQXYJLONDOHMZ-FQEVSTJZSA-N
MW461.59 g/mol
LogP3.79
Rot. Bonds4

About [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone (PubChem CID 25392039) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
PubChem CID25392039
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O3S/c1-20-18-21-8-5-6-13-25(21)29(20)26(30)22-9-7-12-24(19-22)33(31,32)28-16-14-27(15-17-28)23-10-3-2-4-11-23/h2-13,19-20H,14-18H2,1H3/t20-/m0/s1
InChIKeyFYQXYJLONDOHMZ-FQEVSTJZSA-N
XLogP3.79
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 51147421
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109063460
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173637
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2365285
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
cyclobutyl-[(2R)-2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 92742635
N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940837
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 109063192
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone (CID 25392039) is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone is C[C@H]1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
The InChIKey is FYQXYJLONDOHMZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-20-18-21-8-5-6-13-25(21)29(20)26(30)22-9-7-12-24(19-22)33(31,32)28-16-14-27(15-17-28)23-10-3-2-4-11-23/h2-13,19-20H,14-18H2,1H3/t20-/m0/s1.
What are the key properties of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone has a molecular weight of 461.59 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 25392039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).