1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole

C21H25N3O4S — CID 22015392

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole
SMILESCOc1ccc(S(=O)(=O)n2ccc3cc(N4CCN(C)CC4)ccc32)cc1OC
InChIInChI=1S/C21H25N3O4S/c1-22-10-12-23(13-11-22)17-4-6-19-16(14-17)8-9-24(19)29(25,26)18-5-7-20(27-2)21(15-18)28-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyQCEWVKZGAFFFOJ-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.65
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole

1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole (PubChem CID 22015392) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole
PubChem CID22015392
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole
SMILESCOc1ccc(S(=O)(=O)n2ccc3cc(N4CCN(C)CC4)ccc32)cc1OC
InChIInChI=1S/C21H25N3O4S/c1-22-10-12-23(13-11-22)17-4-6-19-16(14-17)8-9-24(19)29(25,26)18-5-7-20(27-2)21(15-18)28-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyQCEWVKZGAFFFOJ-UHFFFAOYSA-N
XLogP2.65
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole (CID 22015392) is 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole is COc1ccc(S(=O)(=O)n2ccc3cc(N4CCN(C)CC4)ccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole?
The InChIKey is QCEWVKZGAFFFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-22-10-12-23(13-11-22)17-4-6-19-16(14-17)8-9-24(19)29(25,26)18-5-7-20(27-2)21(15-18)28-3/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole?
1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole has a molecular weight of 415.52 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)indole is sourced from PubChem (CID 22015392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).