1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole

C20H21NO4S — CID 2324910

IUPAC1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole
SMILESC=CCOc1ccc2c(c1)c(S(=O)(=O)c1ccc(C)cc1)cn2COC
InChIInChI=1S/C20H21NO4S/c1-4-11-25-16-7-10-19-18(12-16)20(13-21(19)14-24-3)26(22,23)17-8-5-15(2)6-9-17/h4-10,12-13H,1,11,14H2,2-3H3
InChIKeyNOODYJSWXKATKD-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.95
Rot. Bonds7

About 1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole

1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole (PubChem CID 2324910) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole.

Molecular Properties

Compound Name1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole
PubChem CID2324910
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole
SMILESC=CCOc1ccc2c(c1)c(S(=O)(=O)c1ccc(C)cc1)cn2COC
InChIInChI=1S/C20H21NO4S/c1-4-11-25-16-7-10-19-18(12-16)20(13-21(19)14-24-3)26(22,23)17-8-5-15(2)6-9-17/h4-10,12-13H,1,11,14H2,2-3H3
InChIKeyNOODYJSWXKATKD-UHFFFAOYSA-N
XLogP3.95
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole?
The IUPAC name of 1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole (CID 2324910) is 1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole.
What is the SMILES notation for 1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole?
The canonical SMILES for 1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole is C=CCOc1ccc2c(c1)c(S(=O)(=O)c1ccc(C)cc1)cn2COC.
What is the InChIKey of 1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole?
The InChIKey is NOODYJSWXKATKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-4-11-25-16-7-10-19-18(12-16)20(13-21(19)14-24-3)26(22,23)17-8-5-15(2)6-9-17/h4-10,12-13H,1,11,14H2,2-3H3.
What are the key properties of 1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole?
1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole has a molecular weight of 371.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-5-prop-2-enoxyindole is sourced from PubChem (CID 2324910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).