3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole

C19H21N3O2S — CID 6918682

IUPAC3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole
SMILESCN1CCN(c2cccc3c(S(=O)(=O)c4ccccc4)c[nH]c23)CC1
InChIInChI=1S/C19H21N3O2S/c1-21-10-12-22(13-11-21)17-9-5-8-16-18(14-20-19(16)17)25(23,24)15-6-3-2-4-7-15/h2-9,14,20H,10-13H2,1H3
InChIKeyAOPYPEADLGTXRA-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.75
Rot. Bonds3

About 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole

3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole (PubChem CID 6918682) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole
PubChem CID6918682
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole
SMILESCN1CCN(c2cccc3c(S(=O)(=O)c4ccccc4)c[nH]c23)CC1
InChIInChI=1S/C19H21N3O2S/c1-21-10-12-22(13-11-21)17-9-5-8-16-18(14-20-19(16)17)25(23,24)15-6-3-2-4-7-15/h2-9,14,20H,10-13H2,1H3
InChIKeyAOPYPEADLGTXRA-UHFFFAOYSA-N
XLogP2.75
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole?
The IUPAC name of 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole (CID 6918682) is 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole.
What is the SMILES notation for 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole?
The canonical SMILES for 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole is CN1CCN(c2cccc3c(S(=O)(=O)c4ccccc4)c[nH]c23)CC1.
What is the InChIKey of 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole?
The InChIKey is AOPYPEADLGTXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-21-10-12-22(13-11-21)17-9-5-8-16-18(14-20-19(16)17)25(23,24)15-6-3-2-4-7-15/h2-9,14,20H,10-13H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole?
3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole has a molecular weight of 355.46 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-1H-indole is sourced from PubChem (CID 6918682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).