3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide

C14H16N4O4S — CID 71810800

IUPAC3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCn1nc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1=O
InChIInChI=1S/C14H16N4O4S/c1-18-14(20)9-5-11(17-18)4-8-13(19)16-10-2-6-12(7-3-10)23(15,21)22/h2-3,5-7,9H,4,8H2,1H3,(H,16,19)(H2,15,21,22)
InChIKeyYUPSMJZLRNCKPZ-UHFFFAOYSA-N
MW336.37 g/mol
LogP-0.00
Rot. Bonds5

About 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide

3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 71810800) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID71810800
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCn1nc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1=O
InChIInChI=1S/C14H16N4O4S/c1-18-14(20)9-5-11(17-18)4-8-13(19)16-10-2-6-12(7-3-10)23(15,21)22/h2-3,5-7,9H,4,8H2,1H3,(H,16,19)(H2,15,21,22)
InChIKeyYUPSMJZLRNCKPZ-UHFFFAOYSA-N
XLogP-0.00
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)propanamide
CID 71810812
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 60709326
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
CID 60647736
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
N-(4-iodophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24641005
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 160701153
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2059467
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide (CID 71810800) is 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide is Cn1nc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1=O.
What is the InChIKey of 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is YUPSMJZLRNCKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-18-14(20)9-5-11(17-18)4-8-13(19)16-10-2-6-12(7-3-10)23(15,21)22/h2-3,5-7,9H,4,8H2,1H3,(H,16,19)(H2,15,21,22).
What are the key properties of 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide?
3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 336.37 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 71810800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).