3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide

C12H20N2O3S — CID 3790387

IUPAC3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1N
InChIInChI=1S/C12H20N2O3S/c1-4-14(5-2)18(15,16)10-7-8-12(17-6-3)11(13)9-10/h7-9H,4-6,13H2,1-3H3
InChIKeyQENQJFWCKIMCIG-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.70
Rot. Bonds6

About 3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide

3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide (PubChem CID 3790387) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide
PubChem CID3790387
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1N
InChIInChI=1S/C12H20N2O3S/c1-4-14(5-2)18(15,16)10-7-8-12(17-6-3)11(13)9-10/h7-9H,4-6,13H2,1-3H3
InChIKeyQENQJFWCKIMCIG-UHFFFAOYSA-N
XLogP1.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide (CID 3790387) is 3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide?
The InChIKey is QENQJFWCKIMCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-14(5-2)18(15,16)10-7-8-12(17-6-3)11(13)9-10/h7-9H,4-6,13H2,1-3H3.
What are the key properties of 3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide?
3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 3790387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).