2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide

C12H12F2N4O2S — CID 106084070

IUPAC2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCNCc1c(F)ccc(S(=O)(=O)Nc2cccnn2)c1F
InChIInChI=1S/C12H12F2N4O2S/c1-15-7-8-9(13)4-5-10(12(8)14)21(19,20)18-11-3-2-6-16-17-11/h2-6,15H,7H2,1H3,(H,17,18)
InChIKeyGAVPFDLPVRUAFX-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.27
Rot. Bonds5

About 2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide

2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084070) has the molecular formula C12H12F2N4O2S and a molecular weight of 314.32 g/mol. Its IUPAC name is 2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084070
Molecular FormulaC12H12F2N4O2S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC Name2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCNCc1c(F)ccc(S(=O)(=O)Nc2cccnn2)c1F
InChIInChI=1S/C12H12F2N4O2S/c1-15-7-8-9(13)4-5-10(12(8)14)21(19,20)18-11-3-2-6-16-17-11/h2-6,15H,7H2,1H3,(H,17,18)
InChIKeyGAVPFDLPVRUAFX-UHFFFAOYSA-N
XLogP1.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzenesulfonamide
CID 75437937
2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786661
3-Cyano-4-fluoro-N-(pyridazin-3-yl)benzenesulfonamide
CID 116787092
3-cyano-4-fluoro-N-(methoxymethyl)-N-(pyridazin-3-yl)benzenesulfonamide
CID 117653471
2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 118342880
2,4,6-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 134585590
N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942093
3-(aminomethyl)-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 63288289
3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 63289080
N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine
CID 99822234
2-fluoro-5-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 105991224
2,4-difluoro-3-(methylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 105991332

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide (CID 106084070) is 2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide is CNCc1c(F)ccc(S(=O)(=O)Nc2cccnn2)c1F.
What is the InChIKey of 2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is GAVPFDLPVRUAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2S/c1-15-7-8-9(13)4-5-10(12(8)14)21(19,20)18-11-3-2-6-16-17-11/h2-6,15H,7H2,1H3,(H,17,18).
What are the key properties of 2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide?
2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 314.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).