2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride

C9H14ClNO3S — CID 22693716

IUPAC2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CCN)cc1.Cl
InChIInChI=1S/C9H13NO3S.ClH/c1-13-8-2-4-9(5-3-8)14(11,12)7-6-10;/h2-5H,6-7,10H2,1H3;1H
InChIKeyZKPJPPQOYXJVJI-UHFFFAOYSA-N
MW251.73 g/mol
LogP0.85
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride

2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride (PubChem CID 22693716) has the molecular formula C9H14ClNO3S and a molecular weight of 251.73 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride
PubChem CID22693716
Molecular FormulaC9H14ClNO3S
Molecular Weight251.73 g/mol
Exact Mass251.04
IUPAC Name2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CCN)cc1.Cl
InChIInChI=1S/C9H13NO3S.ClH/c1-13-8-2-4-9(5-3-8)14(11,12)7-6-10;/h2-5H,6-7,10H2,1H3;1H
InChIKeyZKPJPPQOYXJVJI-UHFFFAOYSA-N
XLogP0.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.73
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride (CID 22693716) is 2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride is COc1ccc(S(=O)(=O)CCN)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride?
The InChIKey is ZKPJPPQOYXJVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S.ClH/c1-13-8-2-4-9(5-3-8)14(11,12)7-6-10;/h2-5H,6-7,10H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride?
2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride has a molecular weight of 251.73 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonylethanamine;hydrochloride is sourced from PubChem (CID 22693716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).