5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one

C19H20FN3O3S — CID 110293129

IUPAC5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1c1ccccc1F
InChIInChI=1S/C19H20FN3O3S/c1-22-8-9-23(12-18(22)15-4-2-3-5-16(15)20)27(25,26)14-6-7-17-13(10-14)11-19(24)21-17/h2-7,10,18H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyZFHHTKYUPYUADD-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.00
Rot. Bonds3

About 5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one

5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one (PubChem CID 110293129) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
PubChem CID110293129
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1c1ccccc1F
InChIInChI=1S/C19H20FN3O3S/c1-22-8-9-23(12-18(22)15-4-2-3-5-16(15)20)27(25,26)14-6-7-17-13(10-14)11-19(24)21-17/h2-7,10,18H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyZFHHTKYUPYUADD-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110418578
5-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110602954
5-[2-(2-fluorophenyl)morpholin-4-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110326740
5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 113076621
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
5-[2-(2-chlorophenyl)morpholin-4-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110326932
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
CID 110867929
5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110720855
7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341336
5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110707877

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one (CID 110293129) is 5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one is CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1c1ccccc1F.
What is the InChIKey of 5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is ZFHHTKYUPYUADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-22-8-9-23(12-18(22)15-4-2-3-5-16(15)20)27(25,26)14-6-7-17-13(10-14)11-19(24)21-17/h2-7,10,18H,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of 5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 389.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 110293129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).