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

C14H14BrNO3S — CID 3809935

IUPAC2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NC(CO)c1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H14BrNO3S/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,10H2
InChIKeyALHDCRXKLLAKDG-UHFFFAOYSA-N
MW356.24 g/mol
LogP2.46
Rot. Bonds5

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

2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide (PubChem CID 3809935) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
PubChem CID3809935
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NC(CO)c1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H14BrNO3S/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,10H2
InChIKeyALHDCRXKLLAKDG-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide (CID 3809935) is 2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide is O=S(=O)(NC(CO)c1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
The InChIKey is ALHDCRXKLLAKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/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,10H2.
What are the key properties of 2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3809935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).