2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide

C12H19FN2O3S — CID 63698233

IUPAC2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O3S/c1-3-15(7-8-18-4-2)19(16,17)12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyULCQFUTYDPJVQS-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.46
Rot. Bonds7

About 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide

2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 63698233) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID63698233
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H19FN2O3S/c1-3-15(7-8-18-4-2)19(16,17)12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyULCQFUTYDPJVQS-UHFFFAOYSA-N
XLogP1.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63695936
5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63695748
2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006792
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63955321
2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63691305
4-amino-N-(2-ethoxyethyl)-N-ethyl-2-nitrobenzenesulfonamide
CID 63691664
2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61444697
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948431
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053351
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
2-amino-4-fluoro-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 43570752

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide (CID 63698233) is 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide is CCOCCN(CC)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is ULCQFUTYDPJVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-3-15(7-8-18-4-2)19(16,17)12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8,14H2,1-2H3.
What are the key properties of 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide?
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63698233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).