3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide

C11H19N3O4S — CID 62498772

IUPAC3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCOCCO)c(N)c1
InChIInChI=1S/C11H19N3O4S/c1-13-19(16,17)9-2-3-11(10(12)8-9)14-4-6-18-7-5-15/h2-3,8,13-15H,4-7,12H2,1H3
InChIKeyRZAHAZPOKDVPDT-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.40
Rot. Bonds8

About 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide

3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 62498772) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
PubChem CID62498772
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCOCCO)c(N)c1
InChIInChI=1S/C11H19N3O4S/c1-13-19(16,17)9-2-3-11(10(12)8-9)14-4-6-18-7-5-15/h2-3,8,13-15H,4-7,12H2,1H3
InChIKeyRZAHAZPOKDVPDT-UHFFFAOYSA-N
XLogP-0.40
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
CID 82989279
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzenesulfonamide
CID 115358102
3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62843446
3-amino-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-methylbenzenesulfonamide
CID 106141042
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
1-N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 114465328
3-amino-4-(1,3-dihydroxypropan-2-ylamino)-N-methylbenzenesulfonamide
CID 65310174
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
3-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenesulfonamide
CID 63827628

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide (CID 62498772) is 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCOCCO)c(N)c1.
What is the InChIKey of 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is RZAHAZPOKDVPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-13-19(16,17)9-2-3-11(10(12)8-9)14-4-6-18-7-5-15/h2-3,8,13-15H,4-7,12H2,1H3.
What are the key properties of 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide?
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of -0.40, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 62498772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).