4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol

C18H17NO3S — CID 10381793

IUPAC4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol
SMILESCC(C)c1nc2ccccc2cc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C18H17NO3S/c1-12(2)18-17(11-13-5-3-4-6-16(13)19-18)23(21,22)15-9-7-14(20)8-10-15/h3-12,20H,1-2H3
InChIKeyHSUNCRPBJJPVMW-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.90
Rot. Bonds3

About 4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol

4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol (PubChem CID 10381793) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol.

Molecular Properties

Compound Name4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol
PubChem CID10381793
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol
SMILESCC(C)c1nc2ccccc2cc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C18H17NO3S/c1-12(2)18-17(11-13-5-3-4-6-16(13)19-18)23(21,22)15-9-7-14(20)8-10-15/h3-12,20H,1-2H3
InChIKeyHSUNCRPBJJPVMW-UHFFFAOYSA-N
XLogP3.90
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol?
The IUPAC name of 4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol (CID 10381793) is 4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol.
What is the SMILES notation for 4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol?
The canonical SMILES for 4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol is CC(C)c1nc2ccccc2cc1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol?
The InChIKey is HSUNCRPBJJPVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-12(2)18-17(11-13-5-3-4-6-16(13)19-18)23(21,22)15-9-7-14(20)8-10-15/h3-12,20H,1-2H3.
What are the key properties of 4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol?
4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol has a molecular weight of 327.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylquinolin-3-yl)sulfonylphenol is sourced from PubChem (CID 10381793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).