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

C19H20FN3O3S — CID 9030892

IUPAC(3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc21
InChIInChI=1S/C19H20FN3O3S/c1-13-17-12-16(6-7-18(17)21-19(13)24)27(25,26)23-10-8-22(9-11-23)15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyOLKRZQGPDTZHKL-CYBMUJFWSA-N
MW389.45 g/mol
LogP2.39
Rot. Bonds3

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

(3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one (PubChem CID 9030892) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is (3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
PubChem CID9030892
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name(3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc21
InChIInChI=1S/C19H20FN3O3S/c1-13-17-12-16(6-7-18(17)21-19(13)24)27(25,26)23-10-8-22(9-11-23)15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyOLKRZQGPDTZHKL-CYBMUJFWSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
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(3R)-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186076
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CID 35141963
(3S)-5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
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1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 2995650
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
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1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one
CID 20927230
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one (CID 9030892) is (3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one is C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc21.
What is the InChIKey of (3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is OLKRZQGPDTZHKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-13-17-12-16(6-7-18(17)21-19(13)24)27(25,26)23-10-8-22(9-11-23)15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one?
(3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 389.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 9030892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).