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

C11H10F2N4O2S — CID 106084130

IUPAC3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNCc1c(F)ccc(S(=O)(=O)Nc2cccnn2)c1F
InChIInChI=1S/C11H10F2N4O2S/c12-8-3-4-9(11(13)7(8)6-14)20(18,19)17-10-2-1-5-15-16-10/h1-5H,6,14H2,(H,16,17)
InChIKeyKRZKHZXUOHVEFQ-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.01
Rot. Bonds4

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

3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084130) has the molecular formula C11H10F2N4O2S and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084130
Molecular FormulaC11H10F2N4O2S
Molecular Weight300.29 g/mol
Exact Mass300.05
IUPAC Name3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNCc1c(F)ccc(S(=O)(=O)Nc2cccnn2)c1F
InChIInChI=1S/C11H10F2N4O2S/c12-8-3-4-9(11(13)7(8)6-14)20(18,19)17-10-2-1-5-15-16-10/h1-5H,6,14H2,(H,16,17)
InChIKeyKRZKHZXUOHVEFQ-UHFFFAOYSA-N
XLogP1.01
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyridazine, 3-sulphanilamido-
CID 6403208
4-methyl-N-[6-(trifluoromethyl)pyridazin-3-yl]benzenesulfonamide
CID 59496144
2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786661
3-Cyano-4-fluoro-N-(pyridazin-3-yl)benzenesulfonamide
CID 116787092
N-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 117653319
2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 118342880
2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfinamide
CID 118349128
2,4,6-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 134585590
2,4-difluoro-3-(hydroxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 105993692
2,3-difluoro-5-(hydroxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 105993718
2-fluoro-5-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084027
2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084070

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 106084130) is 3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide is NCc1c(F)ccc(S(=O)(=O)Nc2cccnn2)c1F.
What is the InChIKey of 3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is KRZKHZXUOHVEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2S/c12-8-3-4-9(11(13)7(8)6-14)20(18,19)17-10-2-1-5-15-16-10/h1-5H,6,14H2,(H,16,17).
What are the key properties of 3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide?
3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 300.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).