N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride

C13H23ClN2O2S — CID 119973798

IUPACN-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-4-14-9-10-15-18(16,17)13-7-5-12(6-8-13)11(2)3;/h5-8,11,14-15H,4,9-10H2,1-3H3;1H
InChIKeyLDAZBBYEOMITLG-UHFFFAOYSA-N
MW306.86 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride

N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 119973798) has the molecular formula C13H23ClN2O2S and a molecular weight of 306.86 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID119973798
Molecular FormulaC13H23ClN2O2S
Molecular Weight306.86 g/mol
Exact Mass306.12
IUPAC NameN-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-4-14-9-10-15-18(16,17)13-7-5-12(6-8-13)11(2)3;/h5-8,11,14-15H,4,9-10H2,1-3H3;1H
InChIKeyLDAZBBYEOMITLG-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120708827
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
CID 119973592
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride (CID 119973798) is N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is LDAZBBYEOMITLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S.ClH/c1-4-14-9-10-15-18(16,17)13-7-5-12(6-8-13)11(2)3;/h5-8,11,14-15H,4,9-10H2,1-3H3;1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).