N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide

C12H20N2O4S — CID 119974003

IUPACN-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H20N2O4S/c1-4-13-5-6-14-19(15,16)12-8-10(17-2)7-11(9-12)18-3/h7-9,13-14H,4-6H2,1-3H3
InChIKeyLJFOZTDQZKEPNX-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.59
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide

N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide (PubChem CID 119974003) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide
PubChem CID119974003
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H20N2O4S/c1-4-13-5-6-14-19(15,16)12-8-10(17-2)7-11(9-12)18-3/h7-9,13-14H,4-6H2,1-3H3
InChIKeyLJFOZTDQZKEPNX-UHFFFAOYSA-N
XLogP0.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide
CID 120708882
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
N-[2-(ethylamino)ethyl]-3-methoxy-4-nitrobenzenesulfonamide
CID 119973555
N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119973870
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 119973985
3,5-dimethoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994383
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide (CID 119974003) is N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide is CCNCCNS(=O)(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide?
The InChIKey is LJFOZTDQZKEPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-13-5-6-14-19(15,16)12-8-10(17-2)7-11(9-12)18-3/h7-9,13-14H,4-6H2,1-3H3.
What are the key properties of N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide?
N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 119974003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).