N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide

C14H24N2O3S — CID 62663335

IUPACN-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-15-9-10-16-20(17,18)14-7-5-13(6-8-14)19-11-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyIWJLPIALUGTWHO-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.61
Rot. Bonds9

About N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide

N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 62663335) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID62663335
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-15-9-10-16-20(17,18)14-7-5-13(6-8-14)19-11-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyIWJLPIALUGTWHO-UHFFFAOYSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.61
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

4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
CID 106058279
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-(2-amino-3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64541271

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide (CID 62663335) is N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide is CCNCCNS(=O)(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is IWJLPIALUGTWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-15-9-10-16-20(17,18)14-7-5-13(6-8-14)19-11-12(2)3/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide?
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 62663335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).