5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one

C19H21N3O3S — CID 110418578

IUPAC5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-21-9-10-22(13-18(21)14-5-3-2-4-6-14)26(24,25)16-7-8-17-15(11-16)12-19(23)20-17/h2-8,11,18H,9-10,12-13H2,1H3,(H,20,23)
InChIKeyPTXAXAUAFHUPFP-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.86
Rot. Bonds3

About 5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one

5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 110418578) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID110418578
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-21-9-10-22(13-18(21)14-5-3-2-4-6-14)26(24,25)16-7-8-17-15(11-16)12-19(23)20-17/h2-8,11,18H,9-10,12-13H2,1H3,(H,20,23)
InChIKeyPTXAXAUAFHUPFP-UHFFFAOYSA-N
XLogP1.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110602954
5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110293129
4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine
CID 53189148
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
3-methyl-6-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110602902
5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 113076621
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one (CID 110418578) is 5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one is CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1c1ccccc1.
What is the InChIKey of 5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is PTXAXAUAFHUPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-21-9-10-22(13-18(21)14-5-3-2-4-6-14)26(24,25)16-7-8-17-15(11-16)12-19(23)20-17/h2-8,11,18H,9-10,12-13H2,1H3,(H,20,23).
What are the key properties of 5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 371.46 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 110418578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).