N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide

C10H15FN2O3S — CID 55243530

IUPACN-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
SMILESNCCOCCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H15FN2O3S/c11-9-2-1-3-10(8-9)17(14,15)13-5-7-16-6-4-12/h1-3,8,13H,4-7,12H2
InChIKeyVIEUUECIYRKCBX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.08
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide

N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 55243530) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
PubChem CID55243530
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
SMILESNCCOCCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H15FN2O3S/c11-9-2-1-3-10(8-9)17(14,15)13-5-7-16-6-4-12/h1-3,8,13H,4-7,12H2
InChIKeyVIEUUECIYRKCBX-UHFFFAOYSA-N
XLogP0.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.08
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

N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
CID 47304916
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901
3-[(3-fluorophenyl)sulfonylamino]propanethioamide
CID 62666138
N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide
CID 114163152
2-(2-aminoethoxy)ethanol;3-bromobenzenesulfonyl chloride;3-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 160861849
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 63767527
3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide
CID 62497976
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide (CID 55243530) is N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide is NCCOCCNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is VIEUUECIYRKCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c11-9-2-1-3-10(8-9)17(14,15)13-5-7-16-6-4-12/h1-3,8,13H,4-7,12H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide?
N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 55243530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).