4-bromo-N-pyridin-4-ylbenzenesulfonamide

C11H9BrN2O2S — CID 669306

IUPAC4-bromo-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O2S/c12-9-1-3-11(4-2-9)17(15,16)14-10-5-7-13-8-6-10/h1-8H,(H,13,14)
InChIKeyIGTPSIUDZBXIBJ-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.64
Rot. Bonds3

About 4-bromo-N-pyridin-4-ylbenzenesulfonamide

4-bromo-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 669306) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-bromo-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-pyridin-4-ylbenzenesulfonamide
PubChem CID669306
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC Name4-bromo-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O2S/c12-9-1-3-11(4-2-9)17(15,16)14-10-5-7-13-8-6-10/h1-8H,(H,13,14)
InChIKeyIGTPSIUDZBXIBJ-UHFFFAOYSA-N
XLogP2.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-pyridin-4-ylbenzenesulfonamide (CID 669306) is 4-bromo-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-pyridin-4-ylbenzenesulfonamide is O=S(=O)(Nc1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is IGTPSIUDZBXIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c12-9-1-3-11(4-2-9)17(15,16)14-10-5-7-13-8-6-10/h1-8H,(H,13,14).
What are the key properties of 4-bromo-N-pyridin-4-ylbenzenesulfonamide?
4-bromo-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 313.18 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 669306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).