2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide

C13H9BrFN3O2S — CID 61061401

IUPAC2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]ncc2c1)c1ccc(F)cc1Br
InChIInChI=1S/C13H9BrFN3O2S/c14-11-6-9(15)1-4-13(11)21(19,20)18-10-2-3-12-8(5-10)7-16-17-12/h1-7,18H,(H,16,17)
InChIKeyVJPVUEMYNAWYQL-UHFFFAOYSA-N
MW370.20 g/mol
LogP3.27
Rot. Bonds3

About 2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide

2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide (PubChem CID 61061401) has the molecular formula C13H9BrFN3O2S and a molecular weight of 370.20 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
PubChem CID61061401
Molecular FormulaC13H9BrFN3O2S
Molecular Weight370.20 g/mol
Exact Mass368.96
IUPAC Name2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]ncc2c1)c1ccc(F)cc1Br
InChIInChI=1S/C13H9BrFN3O2S/c14-11-6-9(15)1-4-13(11)21(19,20)18-10-2-3-12-8(5-10)7-16-17-12/h1-7,18H,(H,16,17)
InChIKeyVJPVUEMYNAWYQL-UHFFFAOYSA-N
XLogP3.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
5-(1H-indazol-5-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912281
2-bromo-4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028844
2-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 2445035
N-(1H-indazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 140564692
N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
CID 39832274

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide (CID 61061401) is 2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2[nH]ncc2c1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide?
The InChIKey is VJPVUEMYNAWYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O2S/c14-11-6-9(15)1-4-13(11)21(19,20)18-10-2-3-12-8(5-10)7-16-17-12/h1-7,18H,(H,16,17).
What are the key properties of 2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide?
2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide has a molecular weight of 370.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 61061401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).