3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide

C20H19N3O4S — CID 71805058

IUPAC3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide
SMILESCn1nc(-c2ccccc2NC(=O)CCS(=O)(=O)c2ccccc2)ccc1=O
InChIInChI=1S/C20H19N3O4S/c1-23-20(25)12-11-18(22-23)16-9-5-6-10-17(16)21-19(24)13-14-28(26,27)15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,21,24)
InChIKeyLWRMONQIDLLYBV-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.25
Rot. Bonds6

About 3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide

3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide (PubChem CID 71805058) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide
PubChem CID71805058
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide
SMILESCn1nc(-c2ccccc2NC(=O)CCS(=O)(=O)c2ccccc2)ccc1=O
InChIInChI=1S/C20H19N3O4S/c1-23-20(25)12-11-18(22-23)16-9-5-6-10-17(16)21-19(24)13-14-28(26,27)15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,21,24)
InChIKeyLWRMONQIDLLYBV-UHFFFAOYSA-N
XLogP2.25
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide (CID 71805058) is 3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide is Cn1nc(-c2ccccc2NC(=O)CCS(=O)(=O)c2ccccc2)ccc1=O.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide?
The InChIKey is LWRMONQIDLLYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-23-20(25)12-11-18(22-23)16-9-5-6-10-17(16)21-19(24)13-14-28(26,27)15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,21,24).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide?
3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide has a molecular weight of 397.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 71805058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).