2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide

C11H18N2O3S — CID 43590960

IUPAC2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C11H18N2O3S/c1-3-16-7-6-13-17(14,15)11-5-4-9(2)8-10(11)12/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyZDSDUKWEWNAEDU-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.89
Rot. Bonds6

About 2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide

2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide (PubChem CID 43590960) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
PubChem CID43590960
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C11H18N2O3S/c1-3-16-7-6-13-17(14,15)11-5-4-9(2)8-10(11)12/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyZDSDUKWEWNAEDU-UHFFFAOYSA-N
XLogP0.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-ethoxyethyl)-4-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

2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62636102
N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
CID 60844392
4-(2-ethoxyethylsulfamoyl)-3-methylbenzenecarbothioamide
CID 106997779
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61111569
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
3-amino-N-(2-ethoxyethyl)-2-nitrobenzenesulfonamide
CID 112675241
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
5-amino-N-[2-(2-ethoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 15680796
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 113370382
3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83109055

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide (CID 43590960) is 2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide is CCOCCNS(=O)(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is ZDSDUKWEWNAEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-16-7-6-13-17(14,15)11-5-4-9(2)8-10(11)12/h4-5,8,13H,3,6-7,12H2,1-2H3.
What are the key properties of 2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide?
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43590960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).