2-bromo-4-(methylsulfonimidoyl)phenol

C7H8BrNO2S — CID 129043458

IUPAC2-bromo-4-(methylsulfonimidoyl)phenol
SMILES[H]N=S(C)(=O)c1ccc(O)c(Br)c1
InChIInChI=1S/C7H8BrNO2S/c1-12(9,11)5-2-3-7(10)6(8)4-5/h2-4,9-10H,1H3
InChIKeyVYFAKGOGCSJYMT-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.19
Rot. Bonds1

About 2-bromo-4-(methylsulfonimidoyl)phenol

2-bromo-4-(methylsulfonimidoyl)phenol (PubChem CID 129043458) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-bromo-4-(methylsulfonimidoyl)phenol.

Molecular Properties

Compound Name2-bromo-4-(methylsulfonimidoyl)phenol
PubChem CID129043458
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name2-bromo-4-(methylsulfonimidoyl)phenol
SMILES[H]N=S(C)(=O)c1ccc(O)c(Br)c1
InChIInChI=1S/C7H8BrNO2S/c1-12(9,11)5-2-3-7(10)6(8)4-5/h2-4,9-10H,1H3
InChIKeyVYFAKGOGCSJYMT-UHFFFAOYSA-N
XLogP2.19
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(methylsulfonimidoyl)phenol?
The IUPAC name of 2-bromo-4-(methylsulfonimidoyl)phenol (CID 129043458) is 2-bromo-4-(methylsulfonimidoyl)phenol.
What is the SMILES notation for 2-bromo-4-(methylsulfonimidoyl)phenol?
The canonical SMILES for 2-bromo-4-(methylsulfonimidoyl)phenol is [H]N=S(C)(=O)c1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-(methylsulfonimidoyl)phenol?
The InChIKey is VYFAKGOGCSJYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-12(9,11)5-2-3-7(10)6(8)4-5/h2-4,9-10H,1H3.
What are the key properties of 2-bromo-4-(methylsulfonimidoyl)phenol?
2-bromo-4-(methylsulfonimidoyl)phenol has a molecular weight of 250.12 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(methylsulfonimidoyl)phenol is sourced from PubChem (CID 129043458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).