2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol

C18H17NO3S — CID 598568

IUPAC2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol
SMILESCN(C)c1cccc2c(S(=O)(=O)c3ccccc3O)cccc12
InChIInChI=1S/C18H17NO3S/c1-19(2)15-9-5-8-14-13(15)7-6-12-17(14)23(21,22)18-11-4-3-10-16(18)20/h3-12,20H,1-2H3
InChIKeyCFKZHLQHPHXEIX-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.44
Rot. Bonds3

About 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol

2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol (PubChem CID 598568) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol.

Molecular Properties

Compound Name2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol
PubChem CID598568
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol
SMILESCN(C)c1cccc2c(S(=O)(=O)c3ccccc3O)cccc12
InChIInChI=1S/C18H17NO3S/c1-19(2)15-9-5-8-14-13(15)7-6-12-17(14)23(21,22)18-11-4-3-10-16(18)20/h3-12,20H,1-2H3
InChIKeyCFKZHLQHPHXEIX-UHFFFAOYSA-N
XLogP3.44
TPSA57.61 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol?
The IUPAC name of 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol (CID 598568) is 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol.
What is the SMILES notation for 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol?
The canonical SMILES for 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol is CN(C)c1cccc2c(S(=O)(=O)c3ccccc3O)cccc12.
What is the InChIKey of 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol?
The InChIKey is CFKZHLQHPHXEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-19(2)15-9-5-8-14-13(15)7-6-12-17(14)23(21,22)18-11-4-3-10-16(18)20/h3-12,20H,1-2H3.
What are the key properties of 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol?
2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol has a molecular weight of 327.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenol is sourced from PubChem (CID 598568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).