N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide

C12H19NO4S2 — CID 3376302

IUPACN-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCCSCCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO4S2/c1-4-18-8-7-13-19(14,15)10-5-6-11(16-2)12(9-10)17-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyDHOBKEUOVJGEPV-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.74
Rot. Bonds8

About N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide

N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 3376302) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID3376302
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC NameN-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCCSCCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO4S2/c1-4-18-8-7-13-19(14,15)10-5-6-11(16-2)12(9-10)17-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyDHOBKEUOVJGEPV-UHFFFAOYSA-N
XLogP1.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide 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

N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide
CID 5100609
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8813934
3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium
CID 9263864
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 110369999
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
2-methoxy-5-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43525950
3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
CID 110409185
3-bromo-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-methoxybenzenesulfonamide
CID 2287405
3,4-dimethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033855
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide (CID 3376302) is N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide is CCSCCNS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is DHOBKEUOVJGEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-4-18-8-7-13-19(14,15)10-5-6-11(16-2)12(9-10)17-3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide?
N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 305.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3376302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).