3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol

C18H19NO4S — CID 11725119

IUPAC3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol
SMILESCc1ccc(S(=O)(=O)n2ccc3c(OCCCO)cccc32)cc1
InChIInChI=1S/C18H19NO4S/c1-14-6-8-15(9-7-14)24(21,22)19-11-10-16-17(19)4-2-5-18(16)23-13-3-12-20/h2,4-11,20H,3,12-13H2,1H3
InChIKeyMGAMLODCFHSPPW-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.95
Rot. Bonds6

About 3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol

3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol (PubChem CID 11725119) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol
PubChem CID11725119
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol
SMILESCc1ccc(S(=O)(=O)n2ccc3c(OCCCO)cccc32)cc1
InChIInChI=1S/C18H19NO4S/c1-14-6-8-15(9-7-14)24(21,22)19-11-10-16-17(19)4-2-5-18(16)23-13-3-12-20/h2,4-11,20H,3,12-13H2,1H3
InChIKeyMGAMLODCFHSPPW-UHFFFAOYSA-N
XLogP2.95
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole
CID 2767805
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
4-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 13044879
N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide
CID 23501278
methyl 1-(4-methylphenyl)sulfonylindole-4-carboxylate
CID 10947463
1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
CID 13115093
(NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine
CID 89415724
tert-butyl 2-[1-(benzenesulfonyl)indol-4-yl]oxyacetate
CID 142413165
bromo-tributyl-[[1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-λ5-phosphane
CID 13044880
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
CID 14880458
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-[(4-fluorophenyl)methyl]ethanamine
CID 164623148
[1-(benzenesulfonyl)indol-4-yl]oxyboronic acid
CID 142772203

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol (CID 11725119) is 3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol is Cc1ccc(S(=O)(=O)n2ccc3c(OCCCO)cccc32)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol?
The InChIKey is MGAMLODCFHSPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-14-6-8-15(9-7-14)24(21,22)19-11-10-16-17(19)4-2-5-18(16)23-13-3-12-20/h2,4-11,20H,3,12-13H2,1H3.
What are the key properties of 3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol?
3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol has a molecular weight of 345.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol is sourced from PubChem (CID 11725119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).