2-(2-benzylsulfonylethyl)aniline

C15H17NO2S — CID 62496096

IUPAC2-(2-benzylsulfonylethyl)aniline
SMILESNc1ccccc1CCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H17NO2S/c16-15-9-5-4-8-14(15)10-11-19(17,18)12-13-6-2-1-3-7-13/h1-9H,10-12,16H2
InChIKeyAPBPJGPJPIAQSI-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.43
Rot. Bonds5

About 2-(2-benzylsulfonylethyl)aniline

2-(2-benzylsulfonylethyl)aniline (PubChem CID 62496096) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(2-benzylsulfonylethyl)aniline.

Molecular Properties

Compound Name2-(2-benzylsulfonylethyl)aniline
PubChem CID62496096
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-(2-benzylsulfonylethyl)aniline
SMILESNc1ccccc1CCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H17NO2S/c16-15-9-5-4-8-14(15)10-11-19(17,18)12-13-6-2-1-3-7-13/h1-9H,10-12,16H2
InChIKeyAPBPJGPJPIAQSI-UHFFFAOYSA-N
XLogP2.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-benzylsulfonylethyl)aniline 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-[(3-methylphenyl)methylsulfonyl]ethyl]aniline
CID 62772139
2-[2-(3-methylbutylsulfonyl)ethyl]aniline
CID 107751691
2-(2-methylsulfonylethylsulfonylmethyl)aniline
CID 63660631
2-(2-methoxyethylsulfonylmethyl)aniline
CID 43446202
4-(2-benzylsulfonylethyl)pyridin-2-amine
CID 57251584
4-benzylsulfonylbutan-1-ol
CID 68839757
2-(2-butan-2-ylsulfonylethyl)aniline
CID 62496097
3-benzylsulfonylpropanamide;hydrochloride
CID 142652348
CID 87855006
CID 87855006
2-[2-(2-methylsulfonylethylsulfinyl)ethyl]aniline
CID 63659056
N-methyl-4-[2-(2-methylphenyl)ethylsulfonylmethyl]benzenesulfonamide
CID 167898852
2-[2-(3,4-dimethylphenyl)sulfonylethyl]aniline
CID 62495421

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfonylethyl)aniline?
The IUPAC name of 2-(2-benzylsulfonylethyl)aniline (CID 62496096) is 2-(2-benzylsulfonylethyl)aniline.
What is the SMILES notation for 2-(2-benzylsulfonylethyl)aniline?
The canonical SMILES for 2-(2-benzylsulfonylethyl)aniline is Nc1ccccc1CCS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-(2-benzylsulfonylethyl)aniline?
The InChIKey is APBPJGPJPIAQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c16-15-9-5-4-8-14(15)10-11-19(17,18)12-13-6-2-1-3-7-13/h1-9H,10-12,16H2.
What are the key properties of 2-(2-benzylsulfonylethyl)aniline?
2-(2-benzylsulfonylethyl)aniline has a molecular weight of 275.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfonylethyl)aniline is sourced from PubChem (CID 62496096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).