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

C20H25N3O2S — CID 155559811

IUPAC1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole
SMILESCCN1CCN(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c1-2-21-12-14-22(15-13-21)18-8-9-20-17(16-18)10-11-23(20)26(24,25)19-6-4-3-5-7-19/h3-9,16H,2,10-15H2,1H3
InChIKeyPRBBGEBXWKOEEQ-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.58
Rot. Bonds4

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

1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole (PubChem CID 155559811) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole
PubChem CID155559811
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole
SMILESCCN1CCN(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c1-2-21-12-14-22(15-13-21)18-8-9-20-17(16-18)10-11-23(20)26(24,25)19-6-4-3-5-7-19/h3-9,16H,2,10-15H2,1H3
InChIKeyPRBBGEBXWKOEEQ-UHFFFAOYSA-N
XLogP2.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.58
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-ethylpiperazin-1-yl)-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole (CID 155559811) is 1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole is CCN1CCN(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole?
The InChIKey is PRBBGEBXWKOEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-2-21-12-14-22(15-13-21)18-8-9-20-17(16-18)10-11-23(20)26(24,25)19-6-4-3-5-7-19/h3-9,16H,2,10-15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole?
1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole has a molecular weight of 371.51 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-2,3-dihydroindole is sourced from PubChem (CID 155559811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).