1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride

C19H22ClN3O2S — CID 91448465

IUPAC1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride
SMILESCc1cc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C19H21N3O2S.ClH/c1-15-14-17-18(21-12-10-20-11-13-21)8-5-9-19(17)22(15)25(23,24)16-6-3-2-4-7-16;/h2-9,14,20H,10-13H2,1H3;1H
InChIKeyLQDLGZFWCLTDLJ-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.02
Rot. Bonds3

About 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride

1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride (PubChem CID 91448465) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride
PubChem CID91448465
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride
SMILESCc1cc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C19H21N3O2S.ClH/c1-15-14-17-18(21-12-10-20-11-13-21)8-5-9-19(17)22(15)25(23,24)16-6-3-2-4-7-16;/h2-9,14,20H,10-13H2,1H3;1H
InChIKeyLQDLGZFWCLTDLJ-UHFFFAOYSA-N
XLogP3.02
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride?
The IUPAC name of 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride (CID 91448465) is 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride.
What is the SMILES notation for 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride?
The canonical SMILES for 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride is Cc1cc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride?
The InChIKey is LQDLGZFWCLTDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.ClH/c1-15-14-17-18(21-12-10-20-11-13-21)8-5-9-19(17)22(15)25(23,24)16-6-3-2-4-7-16;/h2-9,14,20H,10-13H2,1H3;1H.
What are the key properties of 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride?
1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride is sourced from PubChem (CID 91448465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).