2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride

C8H12BrClN2OS — CID 155821017

IUPAC2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride
SMILESCl.[H]N=S(=O)(CCN)c1ccc(Br)cc1
InChIInChI=1S/C8H11BrN2OS.ClH/c9-7-1-3-8(4-2-7)13(11,12)6-5-10;/h1-4,11H,5-6,10H2;1H
InChIKeyXYKCZYYVOYJPBU-UHFFFAOYSA-N
MW299.62 g/mol
LogP2.24
Rot. Bonds3

About 2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride

2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride (PubChem CID 155821017) has the molecular formula C8H12BrClN2OS and a molecular weight of 299.62 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride
PubChem CID155821017
Molecular FormulaC8H12BrClN2OS
Molecular Weight299.62 g/mol
Exact Mass297.95
IUPAC Name2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride
SMILESCl.[H]N=S(=O)(CCN)c1ccc(Br)cc1
InChIInChI=1S/C8H11BrN2OS.ClH/c9-7-1-3-8(4-2-7)13(11,12)6-5-10;/h1-4,11H,5-6,10H2;1H
InChIKeyXYKCZYYVOYJPBU-UHFFFAOYSA-N
XLogP2.24
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.62
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride?
The IUPAC name of 2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride (CID 155821017) is 2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride is Cl.[H]N=S(=O)(CCN)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride?
The InChIKey is XYKCZYYVOYJPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS.ClH/c9-7-1-3-8(4-2-7)13(11,12)6-5-10;/h1-4,11H,5-6,10H2;1H.
What are the key properties of 2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride?
2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride has a molecular weight of 299.62 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride is sourced from PubChem (CID 155821017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).