5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide

C11H17FN2O3S — CID 43255452

IUPAC5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2O3S/c1-2-17-7-3-6-14-18(15,16)11-8-9(13)4-5-10(11)12/h4-5,8,14H,2-3,6-7,13H2,1H3
InChIKeyCHCVYXJGOKUJFG-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.11
Rot. Bonds7

About 5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide

5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide (PubChem CID 43255452) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide
PubChem CID43255452
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2O3S/c1-2-17-7-3-6-14-18(15,16)11-8-9(13)4-5-10(11)12/h4-5,8,14H,2-3,6-7,13H2,1H3
InChIKeyCHCVYXJGOKUJFG-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide (CID 43255452) is 5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide is CCOCCCNS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide?
The InChIKey is CHCVYXJGOKUJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-2-17-7-3-6-14-18(15,16)11-8-9(13)4-5-10(11)12/h4-5,8,14H,2-3,6-7,13H2,1H3.
What are the key properties of 5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide?
5-amino-N-(3-ethoxypropyl)-2-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 5-amino-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43255452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).