N-(2-tert-butylsulfanylethyl)benzenesulfonamide

C12H19NO2S2 — CID 2277133

IUPACN-(2-tert-butylsulfanylethyl)benzenesulfonamide
SMILESCC(C)(C)SCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO2S2/c1-12(2,3)16-10-9-13-17(14,15)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyJZCSSWGQCGUTIB-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.50
Rot. Bonds5

About N-(2-tert-butylsulfanylethyl)benzenesulfonamide

N-(2-tert-butylsulfanylethyl)benzenesulfonamide (PubChem CID 2277133) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)benzenesulfonamide
PubChem CID2277133
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-(2-tert-butylsulfanylethyl)benzenesulfonamide
SMILESCC(C)(C)SCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO2S2/c1-12(2,3)16-10-9-13-17(14,15)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyJZCSSWGQCGUTIB-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-tert-butylsulfanylethyl)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-tert-butylsulfanylethyl)benzenesulfonamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)benzenesulfonamide (CID 2277133) is N-(2-tert-butylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)benzenesulfonamide is CC(C)(C)SCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)benzenesulfonamide?
The InChIKey is JZCSSWGQCGUTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-12(2,3)16-10-9-13-17(14,15)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3.
What are the key properties of N-(2-tert-butylsulfanylethyl)benzenesulfonamide?
N-(2-tert-butylsulfanylethyl)benzenesulfonamide has a molecular weight of 273.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 2277133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).