2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide

C12H19N3O3S — CID 114465302

IUPAC2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide
SMILESC=C(C)COCCNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C12H19N3O3S/c1-9(2)8-18-6-5-15-10-3-4-12(11(13)7-10)19(14,16)17/h3-4,7,15H,1,5-6,8,13H2,2H3,(H2,14,16,17)
InChIKeyFFHAEACPJLKEML-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.92
Rot. Bonds7

About 2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide

2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide (PubChem CID 114465302) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide
PubChem CID114465302
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide
SMILESC=C(C)COCCNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C12H19N3O3S/c1-9(2)8-18-6-5-15-10-3-4-12(11(13)7-10)19(14,16)17/h3-4,7,15H,1,5-6,8,13H2,2H3,(H2,14,16,17)
InChIKeyFFHAEACPJLKEML-UHFFFAOYSA-N
XLogP0.92
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide
CID 106234450
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-amino-5-[2-(2-methylprop-2-enoxy)ethylamino]benzonitrile
CID 114465249
2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine
CID 114465365
2-amino-4-(2-phenoxyethylamino)benzenesulfonamide
CID 79466327
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethylsulfonyl)aniline
CID 115698632
5-amino-4-bromo-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464970
N-[2-(2-methylprop-2-enoxy)ethyl]-4-propylsulfonylaniline
CID 114468837
1-N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 114465328
2-amino-4-[4-(dimethylamino)butylamino]benzenesulfonamide
CID 79467510

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide (CID 114465302) is 2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide is C=C(C)COCCNc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide?
The InChIKey is FFHAEACPJLKEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(2)8-18-6-5-15-10-3-4-12(11(13)7-10)19(14,16)17/h3-4,7,15H,1,5-6,8,13H2,2H3,(H2,14,16,17).
What are the key properties of 2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide?
2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide is sourced from PubChem (CID 114465302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).