3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide

C12H20N2O4S — CID 43341134

IUPAC3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide
SMILESCCOCCOc1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C12H20N2O4S/c1-4-17-7-8-18-12-6-5-10(9-11(12)13)19(15,16)14(2)3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyHHUKUQXEAISHST-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.93
Rot. Bonds7

About 3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide

3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide (PubChem CID 43341134) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide
PubChem CID43341134
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide
SMILESCCOCCOc1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C12H20N2O4S/c1-4-17-7-8-18-12-6-5-10(9-11(12)13)19(15,16)14(2)3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyHHUKUQXEAISHST-UHFFFAOYSA-N
XLogP0.93
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide (CID 43341134) is 3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide is CCOCCOc1ccc(S(=O)(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide?
The InChIKey is HHUKUQXEAISHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-17-7-8-18-12-6-5-10(9-11(12)13)19(15,16)14(2)3/h5-6,9H,4,7-8,13H2,1-3H3.
What are the key properties of 3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide?
3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43341134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).