N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide

C14H17N3O3S — CID 18588402

IUPACN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C14H17N3O3S/c1-3-9-21(19,20)16-12-6-4-5-11(10-12)13-7-8-14(18)17(2)15-13/h4-8,10,16H,3,9H2,1-2H3
InChIKeyUXTOMUIBAVSTNY-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.60
Rot. Bonds5

About N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide

N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide (PubChem CID 18588402) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide
PubChem CID18588402
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C14H17N3O3S/c1-3-9-21(19,20)16-12-6-4-5-11(10-12)13-7-8-14(18)17(2)15-13/h4-8,10,16H,3,9H2,1-2H3
InChIKeyUXTOMUIBAVSTNY-UHFFFAOYSA-N
XLogP1.60
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide (CID 18588402) is N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1.
What is the InChIKey of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide?
The InChIKey is UXTOMUIBAVSTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-9-21(19,20)16-12-6-4-5-11(10-12)13-7-8-14(18)17(2)15-13/h4-8,10,16H,3,9H2,1-2H3.
What are the key properties of N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide?
N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 18588402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).