3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide

C12H20N2O3S — CID 43258870

IUPAC3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCOC)cc1N
InChIInChI=1S/C12H20N2O3S/c1-3-10-5-6-11(9-12(10)13)18(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8,13H2,1-2H3
InChIKeyLSZVWBBNPIZVIJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.15
Rot. Bonds7

About 3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide

3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 43258870) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID43258870
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCOC)cc1N
InChIInChI=1S/C12H20N2O3S/c1-3-10-5-6-11(9-12(10)13)18(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8,13H2,1-2H3
InChIKeyLSZVWBBNPIZVIJ-UHFFFAOYSA-N
XLogP1.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 113288285
3-amino-4-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034450
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
CID 61168643
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233792
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 53405187
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 27245832
3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide (CID 43258870) is 3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCCOC)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is LSZVWBBNPIZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-10-5-6-11(9-12(10)13)18(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8,13H2,1-2H3.
What are the key properties of 3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide?
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 43258870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).