5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide

C12H13FN4O2S — CID 106084076

IUPAC5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCc1c(F)cc(CN)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C12H13FN4O2S/c1-8-10(13)5-9(7-14)6-11(8)20(18,19)17-12-3-2-4-15-16-12/h2-6H,7,14H2,1H3,(H,16,17)
InChIKeyLARCZCMYWTZOQI-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.18
Rot. Bonds4

About 5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide

5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084076) has the molecular formula C12H13FN4O2S and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084076
Molecular FormulaC12H13FN4O2S
Molecular Weight296.33 g/mol
Exact Mass296.07
IUPAC Name5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCc1c(F)cc(CN)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C12H13FN4O2S/c1-8-10(13)5-9(7-14)6-11(8)20(18,19)17-12-3-2-4-15-16-12/h2-6H,7,14H2,1H3,(H,16,17)
InChIKeyLARCZCMYWTZOQI-UHFFFAOYSA-N
XLogP1.18
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-aminopyridazin-3-yl)-3-fluorophenyl]-N-butylbenzenesulfonamide
CID 90329802
2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786661
3-Cyano-4-fluoro-N-(pyridazin-3-yl)benzenesulfonamide
CID 116787092
2,4,5-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 118342880
2,4,6-trifluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 134585590
4-(Trifluoromethyl)pyridazin-1-ium-1,6-diamine;2,4,6-trimethylbenzenesulfonate
CID 140307563
5-(aminomethyl)-3-fluoro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 105991352
3-fluoro-5-(hydroxymethyl)-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 105993737
2-fluoro-5-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084027
2,4-difluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084070
2-(aminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084085
2-(ethylaminomethyl)-5-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084086

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide (CID 106084076) is 5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide is Cc1c(F)cc(CN)cc1S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is LARCZCMYWTZOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2S/c1-8-10(13)5-9(7-14)6-11(8)20(18,19)17-12-3-2-4-15-16-12/h2-6H,7,14H2,1H3,(H,16,17).
What are the key properties of 5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 296.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).