5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride

C21H27Cl2N3O2S — CID 69051868

IUPAC5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CCN(c3ccc4[nH]ccc4c3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H25N3O2S.2ClH/c1-2-3-17-4-7-20(8-5-17)27(25,26)24-14-12-23(13-15-24)19-6-9-21-18(16-19)10-11-22-21;;/h4-11,16,22H,2-3,12-15H2,1H3;2*1H
InChIKeyCTSGXHWHJMDFDT-UHFFFAOYSA-N
MW456.44 g/mol
LogP4.47
Rot. Bonds5

About 5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride

5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride (PubChem CID 69051868) has the molecular formula C21H27Cl2N3O2S and a molecular weight of 456.44 g/mol. Its IUPAC name is 5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride
PubChem CID69051868
Molecular FormulaC21H27Cl2N3O2S
Molecular Weight456.44 g/mol
Exact Mass455.12
IUPAC Name5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CCN(c3ccc4[nH]ccc4c3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H25N3O2S.2ClH/c1-2-3-17-4-7-20(8-5-17)27(25,26)24-14-12-23(13-15-24)19-6-9-21-18(16-19)10-11-22-21;;/h4-11,16,22H,2-3,12-15H2,1H3;2*1H
InChIKeyCTSGXHWHJMDFDT-UHFFFAOYSA-N
XLogP4.47
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride?
The IUPAC name of 5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride (CID 69051868) is 5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride.
What is the SMILES notation for 5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride?
The canonical SMILES for 5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride is CCCc1ccc(S(=O)(=O)N2CCN(c3ccc4[nH]ccc4c3)CC2)cc1.Cl.Cl.
What is the InChIKey of 5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride?
The InChIKey is CTSGXHWHJMDFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S.2ClH/c1-2-3-17-4-7-20(8-5-17)27(25,26)24-14-12-23(13-15-24)19-6-9-21-18(16-19)10-11-22-21;;/h4-11,16,22H,2-3,12-15H2,1H3;2*1H.
What are the key properties of 5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride?
5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride has a molecular weight of 456.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-1H-indole;dihydrochloride is sourced from PubChem (CID 69051868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).