3-indol-1-ylsulfonylphenol

C14H11NO3S — CID 59272903

IUPAC3-indol-1-ylsulfonylphenol
SMILESO=S(=O)(c1cccc(O)c1)n1ccc2ccccc21
InChIInChI=1S/C14H11NO3S/c16-12-5-3-6-13(10-12)19(17,18)15-9-8-11-4-1-2-7-14(11)15/h1-10,16H
InChIKeyRJQFVLAJYJWWDQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.58
Rot. Bonds2

About 3-indol-1-ylsulfonylphenol

3-indol-1-ylsulfonylphenol (PubChem CID 59272903) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-indol-1-ylsulfonylphenol.

Molecular Properties

Compound Name3-indol-1-ylsulfonylphenol
PubChem CID59272903
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name3-indol-1-ylsulfonylphenol
SMILESO=S(=O)(c1cccc(O)c1)n1ccc2ccccc21
InChIInChI=1S/C14H11NO3S/c16-12-5-3-6-13(10-12)19(17,18)15-9-8-11-4-1-2-7-14(11)15/h1-10,16H
InChIKeyRJQFVLAJYJWWDQ-UHFFFAOYSA-N
XLogP2.58
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-indol-1-ylsulfonylphenol?
The IUPAC name of 3-indol-1-ylsulfonylphenol (CID 59272903) is 3-indol-1-ylsulfonylphenol.
What is the SMILES notation for 3-indol-1-ylsulfonylphenol?
The canonical SMILES for 3-indol-1-ylsulfonylphenol is O=S(=O)(c1cccc(O)c1)n1ccc2ccccc21.
What is the InChIKey of 3-indol-1-ylsulfonylphenol?
The InChIKey is RJQFVLAJYJWWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c16-12-5-3-6-13(10-12)19(17,18)15-9-8-11-4-1-2-7-14(11)15/h1-10,16H.
What are the key properties of 3-indol-1-ylsulfonylphenol?
3-indol-1-ylsulfonylphenol has a molecular weight of 273.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-ylsulfonylphenol is sourced from PubChem (CID 59272903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).