1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole

C22H21N3O2S — CID 10113365

IUPAC1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1cccc2ccccc12)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C22H21N3O2S/c26-28(27,22-10-3-6-17-5-1-2-7-18(17)22)25-14-11-19-20(8-4-9-21(19)25)24-15-12-23-13-16-24/h1-11,14,23H,12-13,15-16H2
InChIKeyXRYKXUZCTSIADY-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.44
Rot. Bonds3

About 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole

1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole (PubChem CID 10113365) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
PubChem CID10113365
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1cccc2ccccc12)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C22H21N3O2S/c26-28(27,22-10-3-6-17-5-1-2-7-18(17)22)25-14-11-19-20(8-4-9-21(19)25)24-15-12-23-13-16-24/h1-11,14,23H,12-13,15-16H2
InChIKeyXRYKXUZCTSIADY-UHFFFAOYSA-N
XLogP3.44
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole?
The IUPAC name of 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole (CID 10113365) is 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole.
What is the SMILES notation for 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole?
The canonical SMILES for 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole is O=S(=O)(c1cccc2ccccc12)n1ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole?
The InChIKey is XRYKXUZCTSIADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c26-28(27,22-10-3-6-17-5-1-2-7-18(17)22)25-14-11-19-20(8-4-9-21(19)25)24-15-12-23-13-16-24/h1-11,14,23H,12-13,15-16H2.
What are the key properties of 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole?
1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole has a molecular weight of 391.50 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole is sourced from PubChem (CID 10113365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).