N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide

C19H19N3O5S — CID 72549215

IUPACN-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide
SMILESCOc1cc(=O)n(C)nc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
InChIInChI=1S/C19H19N3O5S/c1-22-18(23)12-17(26-2)19(20-22)15-11-13(21-28(3,24)25)9-10-16(15)27-14-7-5-4-6-8-14/h4-12,21H,1-3H3
InChIKeyFGHFGGPXZCJQNL-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.62
Rot. Bonds6

About N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide

N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide (PubChem CID 72549215) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide
PubChem CID72549215
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide
SMILESCOc1cc(=O)n(C)nc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
InChIInChI=1S/C19H19N3O5S/c1-22-18(23)12-17(26-2)19(20-22)15-11-13(21-28(3,24)25)9-10-16(15)27-14-7-5-4-6-8-14/h4-12,21H,1-3H3
InChIKeyFGHFGGPXZCJQNL-UHFFFAOYSA-N
XLogP2.62
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide (CID 72549215) is N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide is COc1cc(=O)n(C)nc1-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1.
What is the InChIKey of N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide?
The InChIKey is FGHFGGPXZCJQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-22-18(23)12-17(26-2)19(20-22)15-11-13(21-28(3,24)25)9-10-16(15)27-14-7-5-4-6-8-14/h4-12,21H,1-3H3.
What are the key properties of N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide?
N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide has a molecular weight of 401.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide is sourced from PubChem (CID 72549215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).