4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide

C11H9ClFN3O2S — CID 90060784

IUPAC4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccc(Cl)nn2)cc1F
InChIInChI=1S/C11H9ClFN3O2S/c1-14-19(17,18)10-4-2-7(6-8(10)13)9-3-5-11(12)16-15-9/h2-6,14H,1H3
InChIKeyMWIPGNDQJBDTDB-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.84
Rot. Bonds3

About 4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide

4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 90060784) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide
PubChem CID90060784
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC Name4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccc(Cl)nn2)cc1F
InChIInChI=1S/C11H9ClFN3O2S/c1-14-19(17,18)10-4-2-7(6-8(10)13)9-3-5-11(12)16-15-9/h2-6,14H,1H3
InChIKeyMWIPGNDQJBDTDB-UHFFFAOYSA-N
XLogP1.84
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide (CID 90060784) is 4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2ccc(Cl)nn2)cc1F.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is MWIPGNDQJBDTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c1-14-19(17,18)10-4-2-7(6-8(10)13)9-3-5-11(12)16-15-9/h2-6,14H,1H3.
What are the key properties of 4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide?
4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 301.73 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 90060784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).