4-(2-bromoethenyl)benzenesulfonamide

C8H8BrNO2S — CID 141164690

IUPAC4-(2-bromoethenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C=CBr)cc1
InChIInChI=1S/C8H8BrNO2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-6H,(H2,10,11,12)
InChIKeyMMQSHLFWQPUTDY-UHFFFAOYSA-N
MW262.13 g/mol
LogP1.70
Rot. Bonds2

About 4-(2-bromoethenyl)benzenesulfonamide

4-(2-bromoethenyl)benzenesulfonamide (PubChem CID 141164690) has the molecular formula C8H8BrNO2S and a molecular weight of 262.13 g/mol. Its IUPAC name is 4-(2-bromoethenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-bromoethenyl)benzenesulfonamide
PubChem CID141164690
Molecular FormulaC8H8BrNO2S
Molecular Weight262.13 g/mol
Exact Mass260.95
IUPAC Name4-(2-bromoethenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C=CBr)cc1
InChIInChI=1S/C8H8BrNO2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-6H,(H2,10,11,12)
InChIKeyMMQSHLFWQPUTDY-UHFFFAOYSA-N
XLogP1.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethenyl)benzenesulfonamide?
The IUPAC name of 4-(2-bromoethenyl)benzenesulfonamide (CID 141164690) is 4-(2-bromoethenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-bromoethenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-bromoethenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C=CBr)cc1.
What is the InChIKey of 4-(2-bromoethenyl)benzenesulfonamide?
The InChIKey is MMQSHLFWQPUTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-6H,(H2,10,11,12).
What are the key properties of 4-(2-bromoethenyl)benzenesulfonamide?
4-(2-bromoethenyl)benzenesulfonamide has a molecular weight of 262.13 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethenyl)benzenesulfonamide is sourced from PubChem (CID 141164690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).