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

C21H27N3O2S — CID 155542198

IUPAC1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole
SMILESCCCN1CCN(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2S/c1-2-11-22-13-15-23(16-14-22)19-8-9-21-18(17-19)10-12-24(21)27(25,26)20-6-4-3-5-7-20/h3-9,17H,2,10-16H2,1H3
InChIKeyFROJMJFJUZFRPE-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.97
Rot. Bonds5

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

1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole (PubChem CID 155542198) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole
PubChem CID155542198
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole
SMILESCCCN1CCN(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H27N3O2S/c1-2-11-22-13-15-23(16-14-22)19-8-9-21-18(17-19)10-12-24(21)27(25,26)20-6-4-3-5-7-20/h3-9,17H,2,10-16H2,1H3
InChIKeyFROJMJFJUZFRPE-UHFFFAOYSA-N
XLogP2.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole (CID 155542198) is 1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole is CCCN1CCN(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole?
The InChIKey is FROJMJFJUZFRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-2-11-22-13-15-23(16-14-22)19-8-9-21-18(17-19)10-12-24(21)27(25,26)20-6-4-3-5-7-20/h3-9,17H,2,10-16H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole?
1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole has a molecular weight of 385.53 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(4-propylpiperazin-1-yl)-2,3-dihydroindole is sourced from PubChem (CID 155542198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).