N-(4-amino-2-methylphenyl)ethanesulfonamide

C9H14N2O2S — CID 16770466

IUPACN-(4-amino-2-methylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C9H14N2O2S/c1-3-14(12,13)11-9-5-4-8(10)6-7(9)2/h4-6,11H,3,10H2,1-2H3
InChIKeyMTYUBMFMURYQHK-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.34
Rot. Bonds3

About N-(4-amino-2-methylphenyl)ethanesulfonamide

N-(4-amino-2-methylphenyl)ethanesulfonamide (PubChem CID 16770466) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)ethanesulfonamide
PubChem CID16770466
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(4-amino-2-methylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C9H14N2O2S/c1-3-14(12,13)11-9-5-4-8(10)6-7(9)2/h4-6,11H,3,10H2,1-2H3
InChIKeyMTYUBMFMURYQHK-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methylphenyl)ethanesulfonamide 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-(4-amino-2-methylphenyl)ethanesulfonamide?
The IUPAC name of N-(4-amino-2-methylphenyl)ethanesulfonamide (CID 16770466) is N-(4-amino-2-methylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)ethanesulfonamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)ethanesulfonamide?
The InChIKey is MTYUBMFMURYQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-14(12,13)11-9-5-4-8(10)6-7(9)2/h4-6,11H,3,10H2,1-2H3.
What are the key properties of N-(4-amino-2-methylphenyl)ethanesulfonamide?
N-(4-amino-2-methylphenyl)ethanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 16770466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).