1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol

C25H24N2O4S — CID 123433493

IUPAC1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol
SMILESO=S(=O)(c1ccc(Cn2ccc3cc(O)ccc32)cc1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C25H24N2O4S/c28-22-6-9-25-20(16-22)10-11-27(25)18-19-4-7-23(8-5-19)32(29,30)24-3-1-2-21(17-24)26-12-14-31-15-13-26/h1-11,16-17,28H,12-15,18H2
InChIKeyZMGREPLYYGHHOY-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.06
Rot. Bonds5

About 1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol

1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol (PubChem CID 123433493) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol.

Molecular Properties

Compound Name1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol
PubChem CID123433493
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol
SMILESO=S(=O)(c1ccc(Cn2ccc3cc(O)ccc32)cc1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C25H24N2O4S/c28-22-6-9-25-20(16-22)10-11-27(25)18-19-4-7-23(8-5-19)32(29,30)24-3-1-2-21(17-24)26-12-14-31-15-13-26/h1-11,16-17,28H,12-15,18H2
InChIKeyZMGREPLYYGHHOY-UHFFFAOYSA-N
XLogP4.06
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol?
The IUPAC name of 1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol (CID 123433493) is 1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol.
What is the SMILES notation for 1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol?
The canonical SMILES for 1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol is O=S(=O)(c1ccc(Cn2ccc3cc(O)ccc32)cc1)c1cccc(N2CCOCC2)c1.
What is the InChIKey of 1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol?
The InChIKey is ZMGREPLYYGHHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c28-22-6-9-25-20(16-22)10-11-27(25)18-19-4-7-23(8-5-19)32(29,30)24-3-1-2-21(17-24)26-12-14-31-15-13-26/h1-11,16-17,28H,12-15,18H2.
What are the key properties of 1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol?
1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol has a molecular weight of 448.54 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]indol-5-ol is sourced from PubChem (CID 123433493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).