N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide

C20H20FN3O5S — CID 177245318

IUPACN-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(c2cc(-c3cc(O)ccc3F)nnc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H20FN3O5S/c1-28-15-7-4-13(5-8-15)12-24(30(3,26)27)19-11-18(22-23-20(19)29-2)16-10-14(25)6-9-17(16)21/h4-11,25H,12H2,1-3H3
InChIKeyBHGFLDWOVVVWTH-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.97
Rot. Bonds7

About N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide

N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 177245318) has the molecular formula C20H20FN3O5S and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide
PubChem CID177245318
Molecular FormulaC20H20FN3O5S
Molecular Weight433.46 g/mol
Exact Mass433.11
IUPAC NameN-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(c2cc(-c3cc(O)ccc3F)nnc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H20FN3O5S/c1-28-15-7-4-13(5-8-15)12-24(30(3,26)27)19-11-18(22-23-20(19)29-2)16-10-14(25)6-9-17(16)21/h4-11,25H,12H2,1-3H3
InChIKeyBHGFLDWOVVVWTH-UHFFFAOYSA-N
XLogP2.97
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide (CID 177245318) is N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide is COc1ccc(CN(c2cc(-c3cc(O)ccc3F)nnc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is BHGFLDWOVVVWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5S/c1-28-15-7-4-13(5-8-15)12-24(30(3,26)27)19-11-18(22-23-20(19)29-2)16-10-14(25)6-9-17(16)21/h4-11,25H,12H2,1-3H3.
What are the key properties of N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 433.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoro-5-hydroxyphenyl)-3-methoxypyridazin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 177245318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).