2-(4-bromophenyl)ethanesulfonamide

C8H10BrNO2S — CID 90953213

IUPAC2-(4-bromophenyl)ethanesulfonamide
SMILESNS(=O)(=O)CCc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-4H,5-6H2,(H2,10,11,12)
InChIKeyVYHQHCGLZGJSLF-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.28
Rot. Bonds3

About 2-(4-bromophenyl)ethanesulfonamide

2-(4-bromophenyl)ethanesulfonamide (PubChem CID 90953213) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-bromophenyl)ethanesulfonamide
PubChem CID90953213
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name2-(4-bromophenyl)ethanesulfonamide
SMILESNS(=O)(=O)CCc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-4H,5-6H2,(H2,10,11,12)
InChIKeyVYHQHCGLZGJSLF-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)ethanesulfonamide?
The IUPAC name of 2-(4-bromophenyl)ethanesulfonamide (CID 90953213) is 2-(4-bromophenyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-bromophenyl)ethanesulfonamide?
The canonical SMILES for 2-(4-bromophenyl)ethanesulfonamide is NS(=O)(=O)CCc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)ethanesulfonamide?
The InChIKey is VYHQHCGLZGJSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-4H,5-6H2,(H2,10,11,12).
What are the key properties of 2-(4-bromophenyl)ethanesulfonamide?
2-(4-bromophenyl)ethanesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)ethanesulfonamide is sourced from PubChem (CID 90953213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).