1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole

C19H21N3O2S — CID 25024930

IUPAC1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc21
InChIInChI=1S/C19H21N3O2S/c23-25(24,18-4-2-1-3-5-18)22-11-8-17-14-16(6-7-19(17)22)15-21-12-9-20-10-13-21/h1-8,11,14,20H,9-10,12-13,15H2
InChIKeyXZIRCFVAGCAFDA-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.28
Rot. Bonds4

About 1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole

1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole (PubChem CID 25024930) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole
PubChem CID25024930
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc21
InChIInChI=1S/C19H21N3O2S/c23-25(24,18-4-2-1-3-5-18)22-11-8-17-14-16(6-7-19(17)22)15-21-12-9-20-10-13-21/h1-8,11,14,20H,9-10,12-13,15H2
InChIKeyXZIRCFVAGCAFDA-UHFFFAOYSA-N
XLogP2.28
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Eletriptan Hydrobromide
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Ro4368554
CID 6918682
N-(Quinolin-8-yl)benzenesulfonamide
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N-Methyl-3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-1H-indole-5-methanesulfonamide
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1-(Phenylsulfonyl)-1H-indole
CID 315017
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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole?
The IUPAC name of 1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole (CID 25024930) is 1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole is O=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole?
The InChIKey is XZIRCFVAGCAFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-25(24,18-4-2-1-3-5-18)22-11-8-17-14-16(6-7-19(17)22)15-21-12-9-20-10-13-21/h1-8,11,14,20H,9-10,12-13,15H2.
What are the key properties of 1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole?
1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole has a molecular weight of 355.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(piperazin-1-ylmethyl)indole is sourced from PubChem (CID 25024930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).