2-(4-bromophenyl)sulfonylethanamine;hydrochloride

C8H11BrClNO2S — CID 69014064

IUPAC2-(4-bromophenyl)sulfonylethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO2S.ClH/c9-7-1-3-8(4-2-7)13(11,12)6-5-10;/h1-4H,5-6,10H2;1H
InChIKeyLYCIPWMKRDUQHR-UHFFFAOYSA-N
MW300.60 g/mol
LogP1.60
Rot. Bonds3

About 2-(4-bromophenyl)sulfonylethanamine;hydrochloride

2-(4-bromophenyl)sulfonylethanamine;hydrochloride (PubChem CID 69014064) has the molecular formula C8H11BrClNO2S and a molecular weight of 300.60 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonylethanamine;hydrochloride
PubChem CID69014064
Molecular FormulaC8H11BrClNO2S
Molecular Weight300.60 g/mol
Exact Mass298.94
IUPAC Name2-(4-bromophenyl)sulfonylethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO2S.ClH/c9-7-1-3-8(4-2-7)13(11,12)6-5-10;/h1-4H,5-6,10H2;1H
InChIKeyLYCIPWMKRDUQHR-UHFFFAOYSA-N
XLogP1.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.60
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonylethanamine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)sulfonylethanamine;hydrochloride (CID 69014064) is 2-(4-bromophenyl)sulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)sulfonylethanamine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)sulfonylethanamine;hydrochloride is Cl.NCCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonylethanamine;hydrochloride?
The InChIKey is LYCIPWMKRDUQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S.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-bromophenyl)sulfonylethanamine;hydrochloride?
2-(4-bromophenyl)sulfonylethanamine;hydrochloride has a molecular weight of 300.60 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonylethanamine;hydrochloride is sourced from PubChem (CID 69014064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).