1-[(4-bromophenyl)sulfonimidoyl]ethanol

C8H10BrNO2S — CID 121272520

IUPAC1-[(4-bromophenyl)sulfonimidoyl]ethanol
SMILES[H]N=S(=O)(c1ccc(Br)cc1)C(C)O
InChIInChI=1S/C8H10BrNO2S/c1-6(11)13(10,12)8-4-2-7(9)3-5-8/h2-6,10-11H,1H3
InChIKeyZYUHIDZPTHFSTH-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.19
Rot. Bonds2

About 1-[(4-bromophenyl)sulfonimidoyl]ethanol

1-[(4-bromophenyl)sulfonimidoyl]ethanol (PubChem CID 121272520) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 1-[(4-bromophenyl)sulfonimidoyl]ethanol.

Molecular Properties

Compound Name1-[(4-bromophenyl)sulfonimidoyl]ethanol
PubChem CID121272520
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name1-[(4-bromophenyl)sulfonimidoyl]ethanol
SMILES[H]N=S(=O)(c1ccc(Br)cc1)C(C)O
InChIInChI=1S/C8H10BrNO2S/c1-6(11)13(10,12)8-4-2-7(9)3-5-8/h2-6,10-11H,1H3
InChIKeyZYUHIDZPTHFSTH-UHFFFAOYSA-N
XLogP2.19
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)sulfonimidoyl]ethanol?
The IUPAC name of 1-[(4-bromophenyl)sulfonimidoyl]ethanol (CID 121272520) is 1-[(4-bromophenyl)sulfonimidoyl]ethanol.
What is the SMILES notation for 1-[(4-bromophenyl)sulfonimidoyl]ethanol?
The canonical SMILES for 1-[(4-bromophenyl)sulfonimidoyl]ethanol is [H]N=S(=O)(c1ccc(Br)cc1)C(C)O.
What is the InChIKey of 1-[(4-bromophenyl)sulfonimidoyl]ethanol?
The InChIKey is ZYUHIDZPTHFSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-6(11)13(10,12)8-4-2-7(9)3-5-8/h2-6,10-11H,1H3.
What are the key properties of 1-[(4-bromophenyl)sulfonimidoyl]ethanol?
1-[(4-bromophenyl)sulfonimidoyl]ethanol has a molecular weight of 264.14 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)sulfonimidoyl]ethanol is sourced from PubChem (CID 121272520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).