4-[2-(2-methylsulfonylanilino)ethyl]phenol

C15H17NO3S — CID 61237844

IUPAC4-[2-(2-methylsulfonylanilino)ethyl]phenol
SMILESCS(=O)(=O)c1ccccc1NCCc1ccc(O)cc1
InChIInChI=1S/C15H17NO3S/c1-20(18,19)15-5-3-2-4-14(15)16-11-10-12-6-8-13(17)9-7-12/h2-9,16-17H,10-11H2,1H3
InChIKeyVMRCSCFICXBARN-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.45
Rot. Bonds5

About 4-[2-(2-methylsulfonylanilino)ethyl]phenol

4-[2-(2-methylsulfonylanilino)ethyl]phenol (PubChem CID 61237844) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-[2-(2-methylsulfonylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2-methylsulfonylanilino)ethyl]phenol
PubChem CID61237844
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-[2-(2-methylsulfonylanilino)ethyl]phenol
SMILESCS(=O)(=O)c1ccccc1NCCc1ccc(O)cc1
InChIInChI=1S/C15H17NO3S/c1-20(18,19)15-5-3-2-4-14(15)16-11-10-12-6-8-13(17)9-7-12/h2-9,16-17H,10-11H2,1H3
InChIKeyVMRCSCFICXBARN-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-(2-phenylethyl)aniline
CID 43388007
4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol
CID 61238883
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 81241265
4-[(2-methylsulfonylanilino)methyl]benzene-1,3-diol
CID 43724642
4-[2-(2-nitroanilino)ethyl]phenol
CID 47361180
N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 43453491
2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43454307
N-[2-(cyclohepten-1-yl)ethyl]-2-methylsulfonylaniline
CID 133477083
N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
CID 54934964
N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide
CID 133287951
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylsulfonylanilino)ethyl]phenol?
The IUPAC name of 4-[2-(2-methylsulfonylanilino)ethyl]phenol (CID 61237844) is 4-[2-(2-methylsulfonylanilino)ethyl]phenol.
What is the SMILES notation for 4-[2-(2-methylsulfonylanilino)ethyl]phenol?
The canonical SMILES for 4-[2-(2-methylsulfonylanilino)ethyl]phenol is CS(=O)(=O)c1ccccc1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-methylsulfonylanilino)ethyl]phenol?
The InChIKey is VMRCSCFICXBARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-20(18,19)15-5-3-2-4-14(15)16-11-10-12-6-8-13(17)9-7-12/h2-9,16-17H,10-11H2,1H3.
What are the key properties of 4-[2-(2-methylsulfonylanilino)ethyl]phenol?
4-[2-(2-methylsulfonylanilino)ethyl]phenol has a molecular weight of 291.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylsulfonylanilino)ethyl]phenol is sourced from PubChem (CID 61237844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).