4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide

C12H13FN4O2S — CID 106084156

IUPAC4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cccnn2)ccc1F
InChIInChI=1S/C12H13FN4O2S/c1-14-8-9-7-10(4-5-11(9)13)20(18,19)17-12-3-2-6-15-16-12/h2-7,14H,8H2,1H3,(H,16,17)
InChIKeyIAXIVDFCUPURPM-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.14
Rot. Bonds5

About 4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide

4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084156) has the molecular formula C12H13FN4O2S and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084156
Molecular FormulaC12H13FN4O2S
Molecular Weight296.33 g/mol
Exact Mass296.07
IUPAC Name4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cccnn2)ccc1F
InChIInChI=1S/C12H13FN4O2S/c1-14-8-9-7-10(4-5-11(9)13)20(18,19)17-12-3-2-6-15-16-12/h2-7,14H,8H2,1H3,(H,16,17)
InChIKeyIAXIVDFCUPURPM-UHFFFAOYSA-N
XLogP1.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-3-(methylaminomethyl)-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

4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089510
4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082502
4-fluoro-N-(3-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029424
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
4-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 127501672
5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084095
3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide
CID 167808491
4-acetyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116787283
N-[2-(dimethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106032493
4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343
3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387255

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide (CID 106084156) is 4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide is CNCc1cc(S(=O)(=O)Nc2cccnn2)ccc1F.
What is the InChIKey of 4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is IAXIVDFCUPURPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2S/c1-14-8-9-7-10(4-5-11(9)13)20(18,19)17-12-3-2-6-15-16-12/h2-7,14H,8H2,1H3,(H,16,17).
What are the key properties of 4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 296.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).