4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol

C18H15NO3S — CID 174337160

IUPAC4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol
SMILESO=S(=O)(CC=Cc1ccc(O)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H15NO3S/c20-16-10-7-14(8-11-16)4-3-13-23(21,22)18-12-9-15-5-1-2-6-17(15)19-18/h1-12,20H,13H2
InChIKeyBYEPSRQQGRHJNI-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.43
Rot. Bonds4

About 4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol

4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol (PubChem CID 174337160) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol.

Molecular Properties

Compound Name4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol
PubChem CID174337160
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol
SMILESO=S(=O)(CC=Cc1ccc(O)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H15NO3S/c20-16-10-7-14(8-11-16)4-3-13-23(21,22)18-12-9-15-5-1-2-6-17(15)19-18/h1-12,20H,13H2
InChIKeyBYEPSRQQGRHJNI-UHFFFAOYSA-N
XLogP3.43
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol?
The IUPAC name of 4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol (CID 174337160) is 4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol.
What is the SMILES notation for 4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol?
The canonical SMILES for 4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol is O=S(=O)(CC=Cc1ccc(O)cc1)c1ccc2ccccc2n1.
What is the InChIKey of 4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol?
The InChIKey is BYEPSRQQGRHJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c20-16-10-7-14(8-11-16)4-3-13-23(21,22)18-12-9-15-5-1-2-6-17(15)19-18/h1-12,20H,13H2.
What are the key properties of 4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol?
4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol has a molecular weight of 325.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-quinolin-2-ylsulfonylprop-1-enyl)phenol is sourced from PubChem (CID 174337160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).