5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide

C10H8BrFN4O2S — CID 116786168

IUPAC5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNc1cc(Br)c(F)c(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C10H8BrFN4O2S/c11-7-4-6(13)5-8(10(7)12)19(17,18)16-9-2-1-3-14-15-9/h1-5H,13H2,(H,15,16)
InChIKeyOCGVTVNYOJZWNI-UHFFFAOYSA-N
MW347.17 g/mol
LogP1.76
Rot. Bonds3

About 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide

5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 116786168) has the molecular formula C10H8BrFN4O2S and a molecular weight of 347.17 g/mol. Its IUPAC name is 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID116786168
Molecular FormulaC10H8BrFN4O2S
Molecular Weight347.17 g/mol
Exact Mass345.95
IUPAC Name5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNc1cc(Br)c(F)c(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C10H8BrFN4O2S/c11-7-4-6(13)5-8(10(7)12)19(17,18)16-9-2-1-3-14-15-9/h1-5H,13H2,(H,15,16)
InChIKeyOCGVTVNYOJZWNI-UHFFFAOYSA-N
XLogP1.76
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894675
5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79042026
2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide
CID 116786187
5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 59436556
5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084095
4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787794
5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79041421
4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide
CID 116787332
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
5-amino-N-(2-bromophenyl)-2,3-difluorobenzenesulfonamide
CID 65023507

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 116786168) is 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide is Nc1cc(Br)c(F)c(S(=O)(=O)Nc2cccnn2)c1.
What is the InChIKey of 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is OCGVTVNYOJZWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O2S/c11-7-4-6(13)5-8(10(7)12)19(17,18)16-9-2-1-3-14-15-9/h1-5H,13H2,(H,15,16).
What are the key properties of 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 347.17 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 116786168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).