3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride

C19H22ClN3O2S — CID 69351464

IUPAC3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)c2ccccc2)c2cccc(N3CCNCC3)c21
InChIInChI=1S/C19H21N3O2S.ClH/c1-21-14-18(25(23,24)15-6-3-2-4-7-15)16-8-5-9-17(19(16)21)22-12-10-20-11-13-22;/h2-9,14,20H,10-13H2,1H3;1H
InChIKeyUVIJKGXESIREBM-UHFFFAOYSA-N
MW391.92 g/mol
LogP2.84
Rot. Bonds3

About 3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride

3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride (PubChem CID 69351464) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride
PubChem CID69351464
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)c2ccccc2)c2cccc(N3CCNCC3)c21
InChIInChI=1S/C19H21N3O2S.ClH/c1-21-14-18(25(23,24)15-6-3-2-4-7-15)16-8-5-9-17(19(16)21)22-12-10-20-11-13-22;/h2-9,14,20H,10-13H2,1H3;1H
InChIKeyUVIJKGXESIREBM-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole
CID 10292728
1-[2-(benzenesulfonyl)phenyl]piperazine
CID 11849201
1H-indole;1-methyl-7-piperazin-1-yl-3-[2-(trifluoromethyl)phenyl]sulfonylindole
CID 158424564
1-[3-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]piperazine
CID 150306260
1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride
CID 91448465
2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole
CID 66917393
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
CID 69352721
2-(benzenesulfonyl)-N-methyl-5-piperazin-1-ylaniline
CID 10131620
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride
CID 10193970
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride?
The IUPAC name of 3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride (CID 69351464) is 3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride.
What is the SMILES notation for 3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride?
The canonical SMILES for 3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride is Cl.Cn1cc(S(=O)(=O)c2ccccc2)c2cccc(N3CCNCC3)c21.
What is the InChIKey of 3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride?
The InChIKey is UVIJKGXESIREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.ClH/c1-21-14-18(25(23,24)15-6-3-2-4-7-15)16-8-5-9-17(19(16)21)22-12-10-20-11-13-22;/h2-9,14,20H,10-13H2,1H3;1H.
What are the key properties of 3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride?
3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-methyl-7-piperazin-1-ylindole;hydrochloride is sourced from PubChem (CID 69351464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).