3-bromobenzenesulfonamide

C6H6BrNO2S — CID 2734765

IUPAC3-bromobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C6H6BrNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyMUBJNMWVQGHHLG-UHFFFAOYSA-N
MW236.09 g/mol
LogP1.10
Rot. Bonds1

About 3-bromobenzenesulfonamide

3-bromobenzenesulfonamide (PubChem CID 2734765) has the molecular formula C6H6BrNO2S and a molecular weight of 236.09 g/mol. Its IUPAC name is 3-bromobenzenesulfonamide.

Molecular Properties

Compound Name3-bromobenzenesulfonamide
PubChem CID2734765
Molecular FormulaC6H6BrNO2S
Molecular Weight236.09 g/mol
Exact Mass234.93
IUPAC Name3-bromobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C6H6BrNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyMUBJNMWVQGHHLG-UHFFFAOYSA-N
XLogP1.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromobenzenesulfonamide?
The IUPAC name of 3-bromobenzenesulfonamide (CID 2734765) is 3-bromobenzenesulfonamide.
What is the SMILES notation for 3-bromobenzenesulfonamide?
The canonical SMILES for 3-bromobenzenesulfonamide is NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromobenzenesulfonamide?
The InChIKey is MUBJNMWVQGHHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10).
What are the key properties of 3-bromobenzenesulfonamide?
3-bromobenzenesulfonamide has a molecular weight of 236.09 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobenzenesulfonamide is sourced from PubChem (CID 2734765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).