N-(2-methoxyethyl)benzenesulfonamide

C9H13NO3S — CID 3136232

IUPACN-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13NO3S/c1-13-8-7-10-14(11,12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyOUCLHJJQSXBXRU-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.61
Rot. Bonds5

About N-(2-methoxyethyl)benzenesulfonamide

N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 3136232) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)benzenesulfonamide
PubChem CID3136232
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13NO3S/c1-13-8-7-10-14(11,12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyOUCLHJJQSXBXRU-UHFFFAOYSA-N
XLogP0.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)benzenesulfonamide 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-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)benzenesulfonamide (CID 3136232) is N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is OUCLHJJQSXBXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-13-8-7-10-14(11,12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of N-(2-methoxyethyl)benzenesulfonamide?
N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 3136232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).