3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide

C11H17FN2O3S — CID 28550765

IUPAC3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H17FN2O3S/c1-2-17-7-3-6-14-18(15,16)9-4-5-10(12)11(13)8-9/h4-5,8,14H,2-3,6-7,13H2,1H3
InChIKeyYTQTVUZXHGFXRP-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.11
Rot. Bonds7

About 3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide

3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide (PubChem CID 28550765) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide
PubChem CID28550765
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H17FN2O3S/c1-2-17-7-3-6-14-18(15,16)9-4-5-10(12)11(13)8-9/h4-5,8,14H,2-3,6-7,13H2,1H3
InChIKeyYTQTVUZXHGFXRP-UHFFFAOYSA-N
XLogP1.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.11
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'}

Analyze 3-amino-N-(3-ethoxypropyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide (CID 28550765) is 3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide is CCOCCCNS(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide?
The InChIKey is YTQTVUZXHGFXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-2-17-7-3-6-14-18(15,16)9-4-5-10(12)11(13)8-9/h4-5,8,14H,2-3,6-7,13H2,1H3.
What are the key properties of 3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide?
3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxypropyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 28550765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).