1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole

C18H21N3O2S — CID 71163244

IUPAC1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H21N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-8,19H,9-14H2
InChIKeyXNPPTXOONQRENR-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.85
Rot. Bonds3

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

1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole (PubChem CID 71163244) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole
PubChem CID71163244
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H21N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-8,19H,9-14H2
InChIKeyXNPPTXOONQRENR-UHFFFAOYSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
4-(3-Benzenesulfonamidophenyl)piperazine
CID 11849196
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
1-(Phenylsulfonyl)indoline
CID 668757
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
4-ethyl-N-[4-(4-methylpiperazino)phenyl]benzenesulfonamide
CID 2747440
N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 122179036
1-Benzenesulfonyl-4-o-tolyl-piperazine
CID 740952
N-{4-[4-(3-ethanesulfonylamino-phenyl)-piperazin-1-yl]-butyl}-4-methyl-benzenesulfonamide
CID 10005953
4-methyl-N-(4-{4-[3-(propane-2-sulfonylamino)-phenyl]-piperazin-1-yl}-butyl)-benzenesulfonamide
CID 10369020
N-{4-[4-(3-methanesulfonylamino-phenyl)-piperazin-1-yl]-butyl}-4-methyl-benzenesulfonamide
CID 10435294

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole (CID 71163244) is 1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole is O=S(=O)(c1ccccc1)N1CCc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole?
The InChIKey is XNPPTXOONQRENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-8,19H,9-14H2.
What are the key properties of 1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole?
1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole has a molecular weight of 343.45 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-piperazin-1-yl-2,3-dihydroindole is sourced from PubChem (CID 71163244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).