4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide

C11H18N2O3S — CID 62657994

IUPAC4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC)cc1
InChIInChI=1S/C11H18N2O3S/c1-3-16-10-4-6-11(7-5-10)17(14,15)13-9-8-12-2/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyLHSLFDJBGIBLHD-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.58
Rot. Bonds7

About 4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide

4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 62657994) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID62657994
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC)cc1
InChIInChI=1S/C11H18N2O3S/c1-3-16-10-4-6-11(7-5-10)17(14,15)13-9-8-12-2/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyLHSLFDJBGIBLHD-UHFFFAOYSA-N
XLogP0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
CID 119973145
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide
CID 2197976
3-bromo-4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973197
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 62657994) is 4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCNC)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is LHSLFDJBGIBLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-16-10-4-6-11(7-5-10)17(14,15)13-9-8-12-2/h4-7,12-13H,3,8-9H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide?
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62657994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).