4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide

C10H15FN2O3S — CID 60965986

IUPAC4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
SMILESCCOCCNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H15FN2O3S/c1-2-16-6-5-13-10-4-3-8(7-9(10)11)17(12,14)15/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14,15)
InChIKeyYBXJIBKNXRZPAM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.92
Rot. Bonds6

About 4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide

4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide (PubChem CID 60965986) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
PubChem CID60965986
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
SMILESCCOCCNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H15FN2O3S/c1-2-16-6-5-13-10-4-3-8(7-9(10)11)17(12,14)15/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14,15)
InChIKeyYBXJIBKNXRZPAM-UHFFFAOYSA-N
XLogP0.92
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetic acid
CID 79457668
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
CID 55091208
3-fluoro-4-[2-(2-methoxyethylamino)ethylamino]benzenesulfonamide
CID 83029980
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502
4-(3-ethylsulfanylpropylamino)-3-fluorobenzenesulfonamide
CID 114248401
N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline
CID 43591241
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide (CID 60965986) is 4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide is CCOCCNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide?
The InChIKey is YBXJIBKNXRZPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-2-16-6-5-13-10-4-3-8(7-9(10)11)17(12,14)15/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14,15).
What are the key properties of 4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide?
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 60965986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).