1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole

C18H21N3O2S — CID 151199471

IUPAC1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C18H21N3O2S/c22-24(23,17-4-2-1-3-5-17)21-11-8-15-14-16(6-7-18(15)21)20-12-9-19-10-13-20/h1-7,14,19H,8-13H2
InChIKeyNIACINIBVJMBGI-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.85
Rot. Bonds3

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

1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole (PubChem CID 151199471) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole
PubChem CID151199471
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole
SMILESO=S(=O)(c1ccccc1)N1CCc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C18H21N3O2S/c22-24(23,17-4-2-1-3-5-17)21-11-8-15-14-16(6-7-18(15)21)20-12-9-19-10-13-20/h1-7,14,19H,8-13H2
InChIKeyNIACINIBVJMBGI-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

Computed Properties (RDKit)

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

Analyze 1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole (CID 151199471) is 1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole is O=S(=O)(c1ccccc1)N1CCc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole?
The InChIKey is NIACINIBVJMBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-24(23,17-4-2-1-3-5-17)21-11-8-15-14-16(6-7-18(15)21)20-12-9-19-10-13-20/h1-7,14,19H,8-13H2.
What are the key properties of 1-(benzenesulfonyl)-5-piperazin-1-yl-2,3-dihydroindole?
1-(benzenesulfonyl)-5-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)-5-piperazin-1-yl-2,3-dihydroindole is sourced from PubChem (CID 151199471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).