1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride

C20H25Cl2N3O4S — CID 69051523

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
SMILESCOc1ccc(S(=O)(=O)n2ccc3cc(N4CCNCC4)ccc32)cc1OC.Cl.Cl
InChIInChI=1S/C20H23N3O4S.2ClH/c1-26-19-6-4-17(14-20(19)27-2)28(24,25)23-10-7-15-13-16(3-5-18(15)23)22-11-8-21-9-12-22;;/h3-7,10,13-14,21H,8-9,11-12H2,1-2H3;2*1H
InChIKeyLLWWKDKJDOSYSQ-UHFFFAOYSA-N
MW474.41 g/mol
LogP3.15
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride

1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride (PubChem CID 69051523) has the molecular formula C20H25Cl2N3O4S and a molecular weight of 474.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
PubChem CID69051523
Molecular FormulaC20H25Cl2N3O4S
Molecular Weight474.41 g/mol
Exact Mass473.09
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
SMILESCOc1ccc(S(=O)(=O)n2ccc3cc(N4CCNCC4)ccc32)cc1OC.Cl.Cl
InChIInChI=1S/C20H23N3O4S.2ClH/c1-26-19-6-4-17(14-20(19)27-2)28(24,25)23-10-7-15-13-16(3-5-18(15)23)22-11-8-21-9-12-22;;/h3-7,10,13-14,21H,8-9,11-12H2,1-2H3;2*1H
InChIKeyLLWWKDKJDOSYSQ-UHFFFAOYSA-N
XLogP3.15
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride (CID 69051523) is 1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride is COc1ccc(S(=O)(=O)n2ccc3cc(N4CCNCC4)ccc32)cc1OC.Cl.Cl.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride?
The InChIKey is LLWWKDKJDOSYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S.2ClH/c1-26-19-6-4-17(14-20(19)27-2)28(24,25)23-10-7-15-13-16(3-5-18(15)23)22-11-8-21-9-12-22;;/h3-7,10,13-14,21H,8-9,11-12H2,1-2H3;2*1H.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride?
1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride has a molecular weight of 474.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride is sourced from PubChem (CID 69051523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).