1-(2-aminophenyl)-N-ethylmethanesulfonamide

C9H14N2O2S — CID 62021443

IUPAC1-(2-aminophenyl)-N-ethylmethanesulfonamide
SMILESCCNS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C9H14N2O2S/c1-2-11-14(12,13)7-8-5-3-4-6-9(8)10/h3-6,11H,2,7,10H2,1H3
InChIKeyCBNFLUOWZDZZAX-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.71
Rot. Bonds4

About 1-(2-aminophenyl)-N-ethylmethanesulfonamide

1-(2-aminophenyl)-N-ethylmethanesulfonamide (PubChem CID 62021443) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-ethylmethanesulfonamide
PubChem CID62021443
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(2-aminophenyl)-N-ethylmethanesulfonamide
SMILESCCNS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C9H14N2O2S/c1-2-11-14(12,13)7-8-5-3-4-6-9(8)10/h3-6,11H,2,7,10H2,1H3
InChIKeyCBNFLUOWZDZZAX-UHFFFAOYSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-aminophenyl)-N-ethylmethanesulfonamide 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-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide
CID 106006785
3-[(2-aminophenyl)methylsulfonylamino]propane-1-sulfonamide
CID 62020736
2-ethylaniline;sulfuric acid
CID 67820112
1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide
CID 62020518
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 62020325
1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 107864041
1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide
CID 105413522
3-[2-[(2-aminophenyl)methylsulfonylamino]ethyl]-1,1-dimethylurea
CID 83107685
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-ethylmethanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-ethylmethanesulfonamide (CID 62021443) is 1-(2-aminophenyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-ethylmethanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-ethylmethanesulfonamide is CCNS(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-ethylmethanesulfonamide?
The InChIKey is CBNFLUOWZDZZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-11-14(12,13)7-8-5-3-4-6-9(8)10/h3-6,11H,2,7,10H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-ethylmethanesulfonamide?
1-(2-aminophenyl)-N-ethylmethanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 62021443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).