4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide

C15H18N2O2S — CID 171387358

IUPAC4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccc(CCN)cc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-17-20(18,19)15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16/h2-9,17H,10-11,16H2,1H3
InChIKeyTVKRFWXJYKPFRN-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.76
Rot. Bonds5

About 4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide

4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 171387358) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID171387358
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccc(CCN)cc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-17-20(18,19)15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16/h2-9,17H,10-11,16H2,1H3
InChIKeyTVKRFWXJYKPFRN-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83014637
4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 79185763
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
2-[4-(methylsulfamoyl)phenyl]acetamide
CID 118211828
4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 61380564
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421
4-(2-aminoethyl)benzenesulfonyl fluoride
CID 1701
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387252
4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945013

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide (CID 171387358) is 4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2ccc(CCN)cc2)cc1.
What is the InChIKey of 4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is TVKRFWXJYKPFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17-20(18,19)15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-11-16/h2-9,17H,10-11,16H2,1H3.
What are the key properties of 4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide?
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 171387358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).