2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide

C11H8BrFN2O2S — CID 60823438

IUPAC2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1ccc(F)cc1Br
InChIInChI=1S/C11H8BrFN2O2S/c12-10-7-8(13)1-2-11(10)18(16,17)15-9-3-5-14-6-4-9/h1-7H,(H,14,15)
InChIKeyNSSPOZITEMFSAF-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.78
Rot. Bonds3

About 2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide

2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 60823438) has the molecular formula C11H8BrFN2O2S and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
PubChem CID60823438
Molecular FormulaC11H8BrFN2O2S
Molecular Weight331.17 g/mol
Exact Mass329.95
IUPAC Name2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1ccc(F)cc1Br
InChIInChI=1S/C11H8BrFN2O2S/c12-10-7-8(13)1-2-11(10)18(16,17)15-9-3-5-14-6-4-9/h1-7H,(H,14,15)
InChIKeyNSSPOZITEMFSAF-UHFFFAOYSA-N
XLogP2.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63650957
2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60823464
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 61221276
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide (CID 60823438) is 2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide is O=S(=O)(Nc1ccncc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is NSSPOZITEMFSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2S/c12-10-7-8(13)1-2-11(10)18(16,17)15-9-3-5-14-6-4-9/h1-7H,(H,14,15).
What are the key properties of 2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide?
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 331.17 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 60823438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).