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

C11H10ClFN4O2S — CID 106084197

IUPAC3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)Nc2cccnn2)c1F
InChIInChI=1S/C11H10ClFN4O2S/c12-8-4-7(6-14)11(13)9(5-8)20(18,19)17-10-2-1-3-15-16-10/h1-5H,6,14H2,(H,16,17)
InChIKeyHMJLCNSQZXVEBK-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.53
Rot. Bonds4

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

3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 106084197) has the molecular formula C11H10ClFN4O2S and a molecular weight of 316.75 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID106084197
Molecular FormulaC11H10ClFN4O2S
Molecular Weight316.75 g/mol
Exact Mass316.02
IUPAC Name3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)Nc2cccnn2)c1F
InChIInChI=1S/C11H10ClFN4O2S/c12-8-4-7(6-14)11(13)9(5-8)20(18,19)17-10-2-1-3-15-16-10/h1-5H,6,14H2,(H,16,17)
InChIKeyHMJLCNSQZXVEBK-UHFFFAOYSA-N
XLogP1.53
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 106084197) is 3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide is NCc1cc(Cl)cc(S(=O)(=O)Nc2cccnn2)c1F.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is HMJLCNSQZXVEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O2S/c12-8-4-7(6-14)11(13)9(5-8)20(18,19)17-10-2-1-3-15-16-10/h1-5H,6,14H2,(H,16,17).
What are the key properties of 3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 316.75 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 106084197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).