2-amino-N-benzylethanesulfonamide;hydrochloride

C9H15ClN2O2S — CID 21435852

IUPAC2-amino-N-benzylethanesulfonamide;hydrochloride
SMILESCl.NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C9H14N2O2S.ClH/c10-6-7-14(12,13)11-8-9-4-2-1-3-5-9;/h1-5,11H,6-8,10H2;1H
InChIKeyATHVBZLKMVVUGA-UHFFFAOYSA-N
MW250.75 g/mol
LogP0.49
Rot. Bonds5

About 2-amino-N-benzylethanesulfonamide;hydrochloride

2-amino-N-benzylethanesulfonamide;hydrochloride (PubChem CID 21435852) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 2-amino-N-benzylethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-benzylethanesulfonamide;hydrochloride
PubChem CID21435852
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC Name2-amino-N-benzylethanesulfonamide;hydrochloride
SMILESCl.NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C9H14N2O2S.ClH/c10-6-7-14(12,13)11-8-9-4-2-1-3-5-9;/h1-5,11H,6-8,10H2;1H
InChIKeyATHVBZLKMVVUGA-UHFFFAOYSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzylethanesulfonamide;hydrochloride?
The IUPAC name of 2-amino-N-benzylethanesulfonamide;hydrochloride (CID 21435852) is 2-amino-N-benzylethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-amino-N-benzylethanesulfonamide;hydrochloride?
The canonical SMILES for 2-amino-N-benzylethanesulfonamide;hydrochloride is Cl.NCCS(=O)(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzylethanesulfonamide;hydrochloride?
The InChIKey is ATHVBZLKMVVUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.ClH/c10-6-7-14(12,13)11-8-9-4-2-1-3-5-9;/h1-5,11H,6-8,10H2;1H.
What are the key properties of 2-amino-N-benzylethanesulfonamide;hydrochloride?
2-amino-N-benzylethanesulfonamide;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzylethanesulfonamide;hydrochloride is sourced from PubChem (CID 21435852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).