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

C20H23N3O3S — CID 9186077

IUPAC(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc21
InChIInChI=1S/C20H23N3O3S/c1-15-18-13-17(7-8-19(18)21-20(15)24)27(25,26)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyDSAFVXUCYIISCW-OAHLLOKOSA-N
MW385.49 g/mol
LogP2.25
Rot. Bonds4

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

(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one (PubChem CID 9186077) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is (3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
PubChem CID9186077
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc21
InChIInChI=1S/C20H23N3O3S/c1-15-18-13-17(7-8-19(18)21-20(15)24)27(25,26)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyDSAFVXUCYIISCW-OAHLLOKOSA-N
XLogP2.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186076
(3R)-5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9188841
3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one
CID 60664900
(3S)-5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9188882
(3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9030892
(3R)-5-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9188840
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
7-(4-benzylpiperazin-1-yl)sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 46282041
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 115312431
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide
CID 78842967

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one (CID 9186077) is (3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one is C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc21.
What is the InChIKey of (3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is DSAFVXUCYIISCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-15-18-13-17(7-8-19(18)21-20(15)24)27(25,26)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one?
(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 385.49 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 9186077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).