2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide

C10H13FN2O3S — CID 146020825

IUPAC2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide
SMILESNC/C(=C\F)COc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H13FN2O3S/c11-5-8(6-12)7-16-9-3-1-2-4-10(9)17(13,14)15/h1-5H,6-7,12H2,(H2,13,14,15)/b8-5+
InChIKeyFWFZDPZLGXIBAM-VMPITWQZSA-N
MW260.29 g/mol
LogP0.52
Rot. Bonds5

About 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide

2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide (PubChem CID 146020825) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide.

Molecular Properties

Compound Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide
PubChem CID146020825
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide
SMILESNC/C(=C\F)COc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H13FN2O3S/c11-5-8(6-12)7-16-9-3-1-2-4-10(9)17(13,14)15/h1-5H,6-7,12H2,(H2,13,14,15)/b8-5+
InChIKeyFWFZDPZLGXIBAM-VMPITWQZSA-N
XLogP0.52
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide?
The IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide (CID 146020825) is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide.
What is the SMILES notation for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide?
The canonical SMILES for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide is NC/C(=C\F)COc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide?
The InChIKey is FWFZDPZLGXIBAM-VMPITWQZSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c11-5-8(6-12)7-16-9-3-1-2-4-10(9)17(13,14)15/h1-5H,6-7,12H2,(H2,13,14,15)/b8-5+.
What are the key properties of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide?
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide has a molecular weight of 260.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide is sourced from PubChem (CID 146020825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).