4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide

C15H26N2O3S — CID 106031479

IUPAC4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCNCCOc1ccc(S(=O)(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-15(3,4)17-21(18,19)14-9-7-13(8-10-14)20-12-11-16-6-2/h7-10,16-17H,5-6,11-12H2,1-4H3
InChIKeyBXHIPJGSGOZTJH-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.14
Rot. Bonds9

About 4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide

4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106031479) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID106031479
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCNCCOc1ccc(S(=O)(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-15(3,4)17-21(18,19)14-9-7-13(8-10-14)20-12-11-16-6-2/h7-10,16-17H,5-6,11-12H2,1-4H3
InChIKeyBXHIPJGSGOZTJH-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.14
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-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
CID 106058279
N-ethyl-3-(4-methylsulfonylphenoxy)propan-1-amine
CID 43807218
4-chloro-N-[2-[4-[2-(ethylamino)ethoxy]phenyl]ethyl]benzenesulfonamide
CID 19388056
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 39372744
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728
6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 100505966
N-(2-methylbutan-2-yl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106031498
N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
CID 62349082

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 106031479) is 4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide is CCNCCOc1ccc(S(=O)(=O)NC(C)(C)CC)cc1.
What is the InChIKey of 4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is BXHIPJGSGOZTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-15(3,4)17-21(18,19)14-9-7-13(8-10-14)20-12-11-16-6-2/h7-10,16-17H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethoxy]-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).