1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole

C22H27N3O3S — CID 69185093

IUPAC1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
SMILESCOc1ccc(S(=O)(=O)n2cc(C(C)N3CCN(C)CC3)c3ccccc32)cc1
InChIInChI=1S/C22H27N3O3S/c1-17(24-14-12-23(2)13-15-24)21-16-25(22-7-5-4-6-20(21)22)29(26,27)19-10-8-18(28-3)9-11-19/h4-11,16-17H,12-15H2,1-3H3
InChIKeyAVIQOMXISMYLAD-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole

1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole (PubChem CID 69185093) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
PubChem CID69185093
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
SMILESCOc1ccc(S(=O)(=O)n2cc(C(C)N3CCN(C)CC3)c3ccccc32)cc1
InChIInChI=1S/C22H27N3O3S/c1-17(24-14-12-23(2)13-15-24)21-16-25(22-7-5-4-6-20(21)22)29(26,27)19-10-8-18(28-3)9-11-19/h4-11,16-17H,12-15H2,1-3H3
InChIKeyAVIQOMXISMYLAD-UHFFFAOYSA-N
XLogP3.20
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole
CID 69183118
1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930
3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 132561494
(2R)-2-(4-methylpiperazin-1-yl)-2-[1-(4-propan-2-ylphenyl)sulfonylindol-3-yl]acetonitrile
CID 66852277
1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole
CID 66852331
methyl 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]acetate
CID 598937
1-(benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10023874
1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
CID 23624297
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-pyrrolidin-1-ylquinazoline
CID 59993146

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole (CID 69185093) is 1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole is COc1ccc(S(=O)(=O)n2cc(C(C)N3CCN(C)CC3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole?
The InChIKey is AVIQOMXISMYLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-17(24-14-12-23(2)13-15-24)21-16-25(22-7-5-4-6-20(21)22)29(26,27)19-10-8-18(28-3)9-11-19/h4-11,16-17H,12-15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole?
1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole has a molecular weight of 413.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole is sourced from PubChem (CID 69185093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).