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

C11H11FN4O2S — CID 106084095

IUPAC5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNCc1ccc(F)c(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C11H11FN4O2S/c12-9-4-3-8(7-13)6-10(9)19(17,18)16-11-2-1-5-14-15-11/h1-6H,7,13H2,(H,15,16)
InChIKeyZGPONLGXZNNWCU-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.88
Rot. Bonds4

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

5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084095) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084095
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNCc1ccc(F)c(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C11H11FN4O2S/c12-9-4-3-8(7-13)6-10(9)19(17,18)16-11-2-1-5-14-15-11/h1-6H,7,13H2,(H,15,16)
InChIKeyZGPONLGXZNNWCU-UHFFFAOYSA-N
XLogP0.88
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 59436556
4-(aminomethyl)-N-pyridazin-3-ylthiophene-2-sulfonamide
CID 106084249
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 106082976
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814
5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786168
5-(aminomethyl)-N-pyridazin-3-ylthiophene-3-sulfonamide
CID 106084044
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084156
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106079096

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 106084095) is 5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide is NCc1ccc(F)c(S(=O)(=O)Nc2cccnn2)c1.
What is the InChIKey of 5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is ZGPONLGXZNNWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c12-9-4-3-8(7-13)6-10(9)19(17,18)16-11-2-1-5-14-15-11/h1-6H,7,13H2,(H,15,16).
What are the key properties of 5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).