5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide

C18H18FN3O4S — CID 171678968

IUPAC5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C18H18FN3O4S/c1-11-9-17(23)20-21-18(11)12-3-6-14(7-4-12)22-27(24,25)16-10-13(19)5-8-15(16)26-2/h3-8,10-11,22H,9H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyLKAGJOYCZGOROH-LLVKDONJSA-N
MW391.42 g/mol
LogP2.50
Rot. Bonds5

About 5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide (PubChem CID 171678968) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide
PubChem CID171678968
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C18H18FN3O4S/c1-11-9-17(23)20-21-18(11)12-3-6-14(7-4-12)22-27(24,25)16-10-13(19)5-8-15(16)26-2/h3-8,10-11,22H,9H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyLKAGJOYCZGOROH-LLVKDONJSA-N
XLogP2.50
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide (CID 171678968) is 5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is LKAGJOYCZGOROH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c1-11-9-17(23)20-21-18(11)12-3-6-14(7-4-12)22-27(24,25)16-10-13(19)5-8-15(16)26-2/h3-8,10-11,22H,9H2,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of 5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 391.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 171678968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).