N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide

C12H20N2O2S — CID 39358343

IUPACN-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)c1ccc(C)c(N)c1
InChIInChI=1S/C12H20N2O2S/c1-4-8-17(15,16)14(5-2)11-7-6-10(3)12(13)9-11/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyZEQNNJONOVWXOM-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.14
Rot. Bonds5

About N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide

N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide (PubChem CID 39358343) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide
PubChem CID39358343
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)c1ccc(C)c(N)c1
InChIInChI=1S/C12H20N2O2S/c1-4-8-17(15,16)14(5-2)11-7-6-10(3)12(13)9-11/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyZEQNNJONOVWXOM-UHFFFAOYSA-N
XLogP2.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide (CID 39358343) is N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide is CCCS(=O)(=O)N(CC)c1ccc(C)c(N)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide?
The InChIKey is ZEQNNJONOVWXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-8-17(15,16)14(5-2)11-7-6-10(3)12(13)9-11/h6-7,9H,4-5,8,13H2,1-3H3.
What are the key properties of N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide?
N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 39358343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).