1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole

C20H23N3O3S — CID 66852331

IUPAC1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole
SMILESCOc1ccc(S(=O)(=O)n2cc(CN3CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C20H23N3O3S/c1-26-17-6-8-18(9-7-17)27(24,25)23-15-16(14-22-12-10-21-11-13-22)19-4-2-3-5-20(19)23/h2-9,15,21H,10-14H2,1H3
InChIKeyADBCNRGFFJQMES-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.29
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole

1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole (PubChem CID 66852331) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole
PubChem CID66852331
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole
SMILESCOc1ccc(S(=O)(=O)n2cc(CN3CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C20H23N3O3S/c1-26-17-6-8-18(9-7-17)27(24,25)23-15-16(14-22-12-10-21-11-13-22)19-4-2-3-5-20(19)23/h2-9,15,21H,10-14H2,1H3
InChIKeyADBCNRGFFJQMES-UHFFFAOYSA-N
XLogP2.29
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole (CID 66852331) is 1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole is COc1ccc(S(=O)(=O)n2cc(CN3CCNCC3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole?
The InChIKey is ADBCNRGFFJQMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-26-17-6-8-18(9-7-17)27(24,25)23-15-16(14-22-12-10-21-11-13-22)19-4-2-3-5-20(19)23/h2-9,15,21H,10-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole?
1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole has a molecular weight of 385.49 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole is sourced from PubChem (CID 66852331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).