3-[(4-ethylsulfonylanilino)methyl]phenol

C15H17NO3S — CID 43689674

IUPAC3-[(4-ethylsulfonylanilino)methyl]phenol
SMILESCCS(=O)(=O)c1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-20(18,19)15-8-6-13(7-9-15)16-11-12-4-3-5-14(17)10-12/h3-10,16-17H,2,11H2,1H3
InChIKeyMTLWYLFDJRQOQD-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.80
Rot. Bonds5

About 3-[(4-ethylsulfonylanilino)methyl]phenol

3-[(4-ethylsulfonylanilino)methyl]phenol (PubChem CID 43689674) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[(4-ethylsulfonylanilino)methyl]phenol.

Molecular Properties

Compound Name3-[(4-ethylsulfonylanilino)methyl]phenol
PubChem CID43689674
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-[(4-ethylsulfonylanilino)methyl]phenol
SMILESCCS(=O)(=O)c1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-20(18,19)15-8-6-13(7-9-15)16-11-12-4-3-5-14(17)10-12/h3-10,16-17H,2,11H2,1H3
InChIKeyMTLWYLFDJRQOQD-UHFFFAOYSA-N
XLogP2.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43682539
N-[[3-(aminomethyl)phenyl]methyl]-4-ethylsulfonylaniline
CID 60871436
3-[(4-ethylsulfonylanilino)methyl]-N-methylbenzamide
CID 133312538
4-[(4-ethylsulfonylanilino)methyl]-2-fluorophenol
CID 107685446
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 28731454
N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide
CID 99843072
N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 43683747
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
2-[4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43724140
N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylsulfonylanilino)methyl]phenol?
The IUPAC name of 3-[(4-ethylsulfonylanilino)methyl]phenol (CID 43689674) is 3-[(4-ethylsulfonylanilino)methyl]phenol.
What is the SMILES notation for 3-[(4-ethylsulfonylanilino)methyl]phenol?
The canonical SMILES for 3-[(4-ethylsulfonylanilino)methyl]phenol is CCS(=O)(=O)c1ccc(NCc2cccc(O)c2)cc1.
What is the InChIKey of 3-[(4-ethylsulfonylanilino)methyl]phenol?
The InChIKey is MTLWYLFDJRQOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-20(18,19)15-8-6-13(7-9-15)16-11-12-4-3-5-14(17)10-12/h3-10,16-17H,2,11H2,1H3.
What are the key properties of 3-[(4-ethylsulfonylanilino)methyl]phenol?
3-[(4-ethylsulfonylanilino)methyl]phenol has a molecular weight of 291.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylsulfonylanilino)methyl]phenol is sourced from PubChem (CID 43689674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).