5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C11H10BrFN4O2S — CID 106894675

IUPAC5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(Br)c(F)c(S(=O)(=O)NCc2cccnn2)c1
InChIInChI=1S/C11H10BrFN4O2S/c12-9-4-7(14)5-10(11(9)13)20(18,19)16-6-8-2-1-3-15-17-8/h1-5,16H,6,14H2
InChIKeyQLPDILBAXHDHAP-UHFFFAOYSA-N
MW361.20 g/mol
LogP1.44
Rot. Bonds4

About 5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide

5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106894675) has the molecular formula C11H10BrFN4O2S and a molecular weight of 361.20 g/mol. Its IUPAC name is 5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106894675
Molecular FormulaC11H10BrFN4O2S
Molecular Weight361.20 g/mol
Exact Mass359.97
IUPAC Name5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(Br)c(F)c(S(=O)(=O)NCc2cccnn2)c1
InChIInChI=1S/C11H10BrFN4O2S/c12-9-4-7(14)5-10(11(9)13)20(18,19)16-6-8-2-1-3-15-17-8/h1-5,16H,6,14H2
InChIKeyQLPDILBAXHDHAP-UHFFFAOYSA-N
XLogP1.44
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707
5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786168
2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833668
5-amino-2-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897606
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
5-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006837
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089507
5-amino-3-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluorobenzenesulfonamide
CID 106301754
5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
CID 106833688
5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 106831690
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106894675) is 5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide is Nc1cc(Br)c(F)c(S(=O)(=O)NCc2cccnn2)c1.
What is the InChIKey of 5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is QLPDILBAXHDHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O2S/c12-9-4-7(14)5-10(11(9)13)20(18,19)16-6-8-2-1-3-15-17-8/h1-5,16H,6,14H2.
What are the key properties of 5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 361.20 g/mol, XLogP of 1.44, 4 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-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106894675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).