4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

C15H18N2O3S — CID 107734191

IUPAC4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H18N2O3S/c1-17(13-4-6-14(18)7-5-13)21(19,20)15-8-2-12(3-9-15)10-11-16/h2-9,18H,10-11,16H2,1H3
InChIKeyGLXKJYIXVJQBAQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.72
Rot. Bonds5

About 4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 107734191) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
PubChem CID107734191
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H18N2O3S/c1-17(13-4-6-14(18)7-5-13)21(19,20)15-8-2-12(3-9-15)10-11-16/h2-9,18H,10-11,16H2,1H3
InChIKeyGLXKJYIXVJQBAQ-UHFFFAOYSA-N
XLogP1.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)phenol phosphate
CID 6366959
4-(2-aminoethyl)phenol;phosphoric acid
CID 3029836
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001773
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
3-[[4-(2-aminoethyl)phenyl]sulfonyl-methylamino]-N-methylpropanamide
CID 106915105
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
4-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112661692
4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733356
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 62854746

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide (CID 107734191) is 4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is GLXKJYIXVJQBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17(13-4-6-14(18)7-5-13)21(19,20)15-8-2-12(3-9-15)10-11-16/h2-9,18H,10-11,16H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107734191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).