1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole

C19H23N3O2S — CID 155552356

IUPAC1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
SMILESCN1CCN(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O2S/c1-20-11-13-21(14-12-20)17-7-8-19-16(15-17)9-10-22(19)25(23,24)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3
InChIKeyJGVZGPYSWWXYDX-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.19
Rot. Bonds3

About 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole

1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole (PubChem CID 155552356) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
PubChem CID155552356
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
SMILESCN1CCN(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O2S/c1-20-11-13-21(14-12-20)17-7-8-19-16(15-17)9-10-22(19)25(23,24)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3
InChIKeyJGVZGPYSWWXYDX-UHFFFAOYSA-N
XLogP2.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole
CID 148988411
1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316058
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]propanal
CID 174519680
5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 110316037
5-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-3H-indol-2-one
CID 110640995
4-methyl-7-[[6-(4-methylpiperazin-1-yl)-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 71082007
(Z)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide
CID 167108218
1-[4-[1-(4-bromophenyl)sulfonyl-2,3-dihydroindol-5-yl]piperazin-1-yl]-2,2,2-trichloroethanone
CID 151564793
4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316294
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
CID 137422519

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole (CID 155552356) is 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole is CN1CCN(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole?
The InChIKey is JGVZGPYSWWXYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-20-11-13-21(14-12-20)17-7-8-19-16(15-17)9-10-22(19)25(23,24)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole?
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole has a molecular weight of 357.48 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole is sourced from PubChem (CID 155552356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).