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

C15H18N2O3S — CID 61238883

IUPAC4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol
SMILESCS(=O)(=O)c1ccc(NCCc2ccc(O)cc2)c(N)c1
InChIInChI=1S/C15H18N2O3S/c1-21(19,20)13-6-7-15(14(16)10-13)17-9-8-11-2-4-12(18)5-3-11/h2-7,10,17-18H,8-9,16H2,1H3
InChIKeyRUTJMGOHZHETCD-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.03
Rot. Bonds5

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

4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol (PubChem CID 61238883) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol
PubChem CID61238883
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol
SMILESCS(=O)(=O)c1ccc(NCCc2ccc(O)cc2)c(N)c1
InChIInChI=1S/C15H18N2O3S/c1-21(19,20)13-6-7-15(14(16)10-13)17-9-8-11-2-4-12(18)5-3-11/h2-7,10,17-18H,8-9,16H2,1H3
InChIKeyRUTJMGOHZHETCD-UHFFFAOYSA-N
XLogP2.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(2-methylphenyl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 79756350
2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide
CID 106333936
4-[2-(2-methylsulfonylanilino)ethyl]phenol
CID 61237844
1-N-(4-methylsulfanylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 113487228
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 61239053
1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 54932454
1-N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 114465328
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096
4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
CID 103590041
tert-butyl N-[3-(2-amino-4-methylsulfonylanilino)propyl]carbamate
CID 104932809

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol?
The IUPAC name of 4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol (CID 61238883) is 4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol.
What is the SMILES notation for 4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol?
The canonical SMILES for 4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol is CS(=O)(=O)c1ccc(NCCc2ccc(O)cc2)c(N)c1.
What is the InChIKey of 4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol?
The InChIKey is RUTJMGOHZHETCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-21(19,20)13-6-7-15(14(16)10-13)17-9-8-11-2-4-12(18)5-3-11/h2-7,10,17-18H,8-9,16H2,1H3.
What are the key properties of 4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol?
4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol has a molecular weight of 306.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol is sourced from PubChem (CID 61238883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).