3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole

C24H31N3O2S — CID 69183118

IUPAC3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCC(C)c1ccc(S(=O)(=O)n2cc(C(C)N3CCN(C)CC3)c3ccccc32)cc1
InChIInChI=1S/C24H31N3O2S/c1-18(2)20-9-11-21(12-10-20)30(28,29)27-17-23(22-7-5-6-8-24(22)27)19(3)26-15-13-25(4)14-16-26/h5-12,17-19H,13-16H2,1-4H3
InChIKeyWZOIYLIDQGPBSD-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.31
Rot. Bonds5

About 3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole

3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole (PubChem CID 69183118) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is 3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole
PubChem CID69183118
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC Name3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCC(C)c1ccc(S(=O)(=O)n2cc(C(C)N3CCN(C)CC3)c3ccccc32)cc1
InChIInChI=1S/C24H31N3O2S/c1-18(2)20-9-11-21(12-10-20)30(28,29)27-17-23(22-7-5-6-8-24(22)27)19(3)26-15-13-25(4)14-16-26/h5-12,17-19H,13-16H2,1-4H3
InChIKeyWZOIYLIDQGPBSD-UHFFFAOYSA-N
XLogP4.31
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69184356
1-(4-methylphenyl)sulfonyl-3-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]indole
CID 66852552
1-(4-methylphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69186511
1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69185093
(2R)-2-(4-methylpiperazin-1-yl)-2-[1-(4-propan-2-ylphenyl)sulfonylindol-3-yl]acetonitrile
CID 66852277
3-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylindole
CID 66853251
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
CID 23624297
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 132561494
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
(3S)-3-[1-(benzenesulfonyl)indol-3-yl]butanenitrile
CID 10892690

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole?
The IUPAC name of 3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole (CID 69183118) is 3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole.
What is the SMILES notation for 3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole?
The canonical SMILES for 3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole is CC(C)c1ccc(S(=O)(=O)n2cc(C(C)N3CCN(C)CC3)c3ccccc32)cc1.
What is the InChIKey of 3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole?
The InChIKey is WZOIYLIDQGPBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-18(2)20-9-11-21(12-10-20)30(28,29)27-17-23(22-7-5-6-8-24(22)27)19(3)26-15-13-25(4)14-16-26/h5-12,17-19H,13-16H2,1-4H3.
What are the key properties of 3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole?
3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole has a molecular weight of 425.60 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole is sourced from PubChem (CID 69183118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).