2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide

C14H16N2O3S — CID 63182594

IUPAC2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H16N2O3S/c15-12-8-4-5-9-14(12)20(18,19)16-13(10-17)11-6-2-1-3-7-11/h1-9,13,16-17H,10,15H2
InChIKeyVQPSGYXFBLXGQB-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.28
Rot. Bonds5

About 2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide

2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide (PubChem CID 63182594) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
PubChem CID63182594
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H16N2O3S/c15-12-8-4-5-9-14(12)20(18,19)16-13(10-17)11-6-2-1-3-7-11/h1-9,13,16-17H,10,15H2
InChIKeyVQPSGYXFBLXGQB-UHFFFAOYSA-N
XLogP1.28
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 107861957
2-amino-5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861982
2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861996
2-amino-5-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182474
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide
CID 107862017
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 55160188
2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182602
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate
CID 3447772

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide (CID 63182594) is 2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)NC(CO)c1ccccc1.
What is the InChIKey of 2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
The InChIKey is VQPSGYXFBLXGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c15-12-8-4-5-9-14(12)20(18,19)16-13(10-17)11-6-2-1-3-7-11/h1-9,13,16-17H,10,15H2.
What are the key properties of 2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 63182594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).