2-(2-aminoethyl)benzenesulfonyl fluoride

C8H10FNO2S — CID 6710775

IUPAC2-(2-aminoethyl)benzenesulfonyl fluoride
SMILESNCCc1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H10FNO2S/c9-13(11,12)8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKeyTZJAEGCLMLTGRJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.85
Rot. Bonds3

About 2-(2-aminoethyl)benzenesulfonyl fluoride

2-(2-aminoethyl)benzenesulfonyl fluoride (PubChem CID 6710775) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-(2-aminoethyl)benzenesulfonyl fluoride
PubChem CID6710775
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name2-(2-aminoethyl)benzenesulfonyl fluoride
SMILESNCCc1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H10FNO2S/c9-13(11,12)8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKeyTZJAEGCLMLTGRJ-UHFFFAOYSA-N
XLogP0.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)benzenesulfonyl fluoride?
The IUPAC name of 2-(2-aminoethyl)benzenesulfonyl fluoride (CID 6710775) is 2-(2-aminoethyl)benzenesulfonyl fluoride.
What is the SMILES notation for 2-(2-aminoethyl)benzenesulfonyl fluoride?
The canonical SMILES for 2-(2-aminoethyl)benzenesulfonyl fluoride is NCCc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-(2-aminoethyl)benzenesulfonyl fluoride?
The InChIKey is TZJAEGCLMLTGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c9-13(11,12)8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2.
What are the key properties of 2-(2-aminoethyl)benzenesulfonyl fluoride?
2-(2-aminoethyl)benzenesulfonyl fluoride has a molecular weight of 203.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)benzenesulfonyl fluoride is sourced from PubChem (CID 6710775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).