[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone

C20H23N3O3S — CID 53160542

IUPAC[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1
InChIInChI=1S/C20H23N3O3S/c1-21-11-13-22(14-12-21)20(24)17-8-7-16-9-10-23(19(16)15-17)27(25,26)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3
InChIKeyHXHQMPQATVVZLJ-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.83
Rot. Bonds3

About [1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone

[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 53160542) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID53160542
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1
InChIInChI=1S/C20H23N3O3S/c1-21-11-13-22(14-12-21)20(24)17-8-7-16-9-10-23(19(16)15-17)27(25,26)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3
InChIKeyHXHQMPQATVVZLJ-UHFFFAOYSA-N
XLogP1.83
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide
CID 53160533
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2556963
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383992
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1169483
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
4-[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 110408530
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid
CID 154784937
1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid
CID 114807060

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone (CID 53160542) is [1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1.
What is the InChIKey of [1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HXHQMPQATVVZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-21-11-13-22(14-12-21)20(24)17-8-7-16-9-10-23(19(16)15-17)27(25,26)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 385.49 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53160542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).