3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride

C18H20ClN3O2S — CID 69352721

IUPAC3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)c1c[nH]c2ccc(N3CCNCC3)cc12
InChIInChI=1S/C18H19N3O2S.ClH/c22-24(23,15-4-2-1-3-5-15)18-13-20-17-7-6-14(12-16(17)18)21-10-8-19-9-11-21;/h1-7,12-13,19-20H,8-11H2;1H
InChIKeyFJEXGJBUMIFHJL-UHFFFAOYSA-N
MW377.90 g/mol
LogP2.83
Rot. Bonds3

About 3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride

3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride (PubChem CID 69352721) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
PubChem CID69352721
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)c1c[nH]c2ccc(N3CCNCC3)cc12
InChIInChI=1S/C18H19N3O2S.ClH/c22-24(23,15-4-2-1-3-5-15)18-13-20-17-7-6-14(12-16(17)18)21-10-8-19-9-11-21;/h1-7,12-13,19-20H,8-11H2;1H
InChIKeyFJEXGJBUMIFHJL-UHFFFAOYSA-N
XLogP2.83
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_indol(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride?
The IUPAC name of 3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride (CID 69352721) is 3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride.
What is the SMILES notation for 3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride?
The canonical SMILES for 3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride is Cl.O=S(=O)(c1ccccc1)c1c[nH]c2ccc(N3CCNCC3)cc12.
What is the InChIKey of 3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride?
The InChIKey is FJEXGJBUMIFHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S.ClH/c22-24(23,15-4-2-1-3-5-15)18-13-20-17-7-6-14(12-16(17)18)21-10-8-19-9-11-21;/h1-7,12-13,19-20H,8-11H2;1H.
What are the key properties of 3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride?
3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride has a molecular weight of 377.90 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride is sourced from PubChem (CID 69352721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).