3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol

C15H17NO3S — CID 3080346

IUPAC3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol
SMILESCN(C)Cc1ccccc1S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C15H17NO3S/c1-16(2)11-12-6-3-4-9-15(12)20(18,19)14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3
InChIKeySIVOMINSORTERF-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.29
Rot. Bonds4

About 3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol

3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol (PubChem CID 3080346) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol
PubChem CID3080346
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol
SMILESCN(C)Cc1ccccc1S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C15H17NO3S/c1-16(2)11-12-6-3-4-9-15(12)20(18,19)14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3
InChIKeySIVOMINSORTERF-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol?
The IUPAC name of 3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol (CID 3080346) is 3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol is CN(C)Cc1ccccc1S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol?
The InChIKey is SIVOMINSORTERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-16(2)11-12-6-3-4-9-15(12)20(18,19)14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol?
3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol has a molecular weight of 291.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol is sourced from PubChem (CID 3080346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).