2-(4-fluorophenyl)sulfonylethanamine;hydrochloride

C8H11ClFNO2S — CID 22693712

IUPAC2-(4-fluorophenyl)sulfonylethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H10FNO2S.ClH/c9-7-1-3-8(4-2-7)13(11,12)6-5-10;/h1-4H,5-6,10H2;1H
InChIKeyDPTCRXQCFJRKIS-UHFFFAOYSA-N
MW239.70 g/mol
LogP0.98
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonylethanamine;hydrochloride

2-(4-fluorophenyl)sulfonylethanamine;hydrochloride (PubChem CID 22693712) has the molecular formula C8H11ClFNO2S and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonylethanamine;hydrochloride
PubChem CID22693712
Molecular FormulaC8H11ClFNO2S
Molecular Weight239.70 g/mol
Exact Mass239.02
IUPAC Name2-(4-fluorophenyl)sulfonylethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H10FNO2S.ClH/c9-7-1-3-8(4-2-7)13(11,12)6-5-10;/h1-4H,5-6,10H2;1H
InChIKeyDPTCRXQCFJRKIS-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fluoresone
CID 71814
Phenyl-2-aminoethyl sulfide
CID 37013
2-(Benzenesulfonyl)ethan-1-amine
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CID 5007910
N-Ethyl-4-fluorobenzenesulfonamide
CID 565733
Phenylthiopropylamine
CID 150958
Ethanamine, 2-(phenylthio)-, hydrochloride
CID 37012
2-(4-Fluorobenzenesulfonyl)acetonitrile
CID 565732
N-[2-(tert-butylthio)ethyl]-4-(methylthio)benzenesulfonamide
CID 2231398
4-fluoro-N-[2-(phenylsulfanyl)ethyl]benzenesulfonamide
CID 2276062
N-(2-tert-butylsulfanylethyl)benzenesulfonamide
CID 2277133
N-(2-phenylsulfonylethyl)-2-propanamine
CID 13655034

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonylethanamine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)sulfonylethanamine;hydrochloride (CID 22693712) is 2-(4-fluorophenyl)sulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonylethanamine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)sulfonylethanamine;hydrochloride is Cl.NCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonylethanamine;hydrochloride?
The InChIKey is DPTCRXQCFJRKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S.ClH/c9-7-1-3-8(4-2-7)13(11,12)6-5-10;/h1-4H,5-6,10H2;1H.
What are the key properties of 2-(4-fluorophenyl)sulfonylethanamine;hydrochloride?
2-(4-fluorophenyl)sulfonylethanamine;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonylethanamine;hydrochloride is sourced from PubChem (CID 22693712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).