2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride

C8H11ClFNO2S — CID 16667735

IUPAC2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride
SMILESCl.NCCc1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H10FNO2S.ClH/c9-13(11,12)8-4-2-1-3-7(8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKeyPZVMOEXKXXQZEE-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.27
Rot. Bonds3

About 2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride

2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride (PubChem CID 16667735) has the molecular formula C8H11ClFNO2S and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride
PubChem CID16667735
Molecular FormulaC8H11ClFNO2S
Molecular Weight239.70 g/mol
Exact Mass239.02
IUPAC Name2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride
SMILESCl.NCCc1ccccc1S(=O)(=O)F
InChIInChI=1S/C8H10FNO2S.ClH/c9-13(11,12)8-4-2-1-3-7(8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKeyPZVMOEXKXXQZEE-UHFFFAOYSA-N
XLogP1.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.27
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;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride (CID 16667735) is 2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride is Cl.NCCc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride?
The InChIKey is PZVMOEXKXXQZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S.ClH/c9-13(11,12)8-4-2-1-3-7(8)5-6-10;/h1-4H,5-6,10H2;1H.
What are the key properties of 2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride?
2-(2-aminoethyl)benzenesulfonyl fluoride;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 1.27, 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;hydrochloride is sourced from PubChem (CID 16667735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).