4-[(6-methylsulfonylquinolin-4-yl)amino]phenol

C16H14N2O3S — CID 54673836

IUPAC4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
SMILESCS(=O)(=O)c1ccc2nccc(Nc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H14N2O3S/c1-22(20,21)13-6-7-15-14(10-13)16(8-9-17-15)18-11-2-4-12(19)5-3-11/h2-10,19H,1H3,(H,17,18)
InChIKeyZWWXCXRPVDQFFO-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.09
Rot. Bonds3

About 4-[(6-methylsulfonylquinolin-4-yl)amino]phenol

4-[(6-methylsulfonylquinolin-4-yl)amino]phenol (PubChem CID 54673836) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[(6-methylsulfonylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
PubChem CID54673836
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
SMILESCS(=O)(=O)c1ccc2nccc(Nc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H14N2O3S/c1-22(20,21)13-6-7-15-14(10-13)16(8-9-17-15)18-11-2-4-12(19)5-3-11/h2-10,19H,1H3,(H,17,18)
InChIKeyZWWXCXRPVDQFFO-UHFFFAOYSA-N
XLogP3.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylsulfonylquinolin-4-yl)amino]phenol?
The IUPAC name of 4-[(6-methylsulfonylquinolin-4-yl)amino]phenol (CID 54673836) is 4-[(6-methylsulfonylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(6-methylsulfonylquinolin-4-yl)amino]phenol?
The canonical SMILES for 4-[(6-methylsulfonylquinolin-4-yl)amino]phenol is CS(=O)(=O)c1ccc2nccc(Nc3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[(6-methylsulfonylquinolin-4-yl)amino]phenol?
The InChIKey is ZWWXCXRPVDQFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-22(20,21)13-6-7-15-14(10-13)16(8-9-17-15)18-11-2-4-12(19)5-3-11/h2-10,19H,1H3,(H,17,18).
What are the key properties of 4-[(6-methylsulfonylquinolin-4-yl)amino]phenol?
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol has a molecular weight of 314.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylsulfonylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 54673836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).