[1-(4-methylphenyl)sulfonylindol-3-yl]methanol

C16H15NO3S — CID 839263

IUPAC[1-(4-methylphenyl)sulfonylindol-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2cc(CO)c3ccccc32)cc1
InChIInChI=1S/C16H15NO3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-13(11-18)15-4-2-3-5-16(15)17/h2-10,18H,11H2,1H3
InChIKeyAOYYOOZRBUTQBJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.68
Rot. Bonds3

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

[1-(4-methylphenyl)sulfonylindol-3-yl]methanol (PubChem CID 839263) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylindol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylindol-3-yl]methanol
PubChem CID839263
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name[1-(4-methylphenyl)sulfonylindol-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2cc(CO)c3ccccc32)cc1
InChIInChI=1S/C16H15NO3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-13(11-18)15-4-2-3-5-16(15)17/h2-10,18H,11H2,1H3
InChIKeyAOYYOOZRBUTQBJ-UHFFFAOYSA-N
XLogP2.68
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylindol-3-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)sulfonylindol-3-yl]methanol (CID 839263) is [1-(4-methylphenyl)sulfonylindol-3-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylindol-3-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)sulfonylindol-3-yl]methanol is Cc1ccc(S(=O)(=O)n2cc(CO)c3ccccc32)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylindol-3-yl]methanol?
The InChIKey is AOYYOOZRBUTQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-13(11-18)15-4-2-3-5-16(15)17/h2-10,18H,11H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylindol-3-yl]methanol?
[1-(4-methylphenyl)sulfonylindol-3-yl]methanol has a molecular weight of 301.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylindol-3-yl]methanol is sourced from PubChem (CID 839263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).