N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide

C17H16FN3O3S2 — CID 20939816

IUPACN-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(c1ccccc1F)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H16FN3O3S2/c1-2-11-21(14-6-4-3-5-12(14)18)26(23,24)17-10-8-15(25-17)13-7-9-16(22)20-19-13/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyUAEKVYNQKLRMOG-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.24
Rot. Bonds6

About N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide

N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide (PubChem CID 20939816) has the molecular formula C17H16FN3O3S2 and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide
PubChem CID20939816
Molecular FormulaC17H16FN3O3S2
Molecular Weight393.47 g/mol
Exact Mass393.06
IUPAC NameN-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(c1ccccc1F)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H16FN3O3S2/c1-2-11-21(14-6-4-3-5-12(14)18)26(23,24)17-10-8-15(25-17)13-7-9-16(22)20-19-13/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyUAEKVYNQKLRMOG-UHFFFAOYSA-N
XLogP3.24
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-Difluorophenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926922
Ethyl 3-[N-phenyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]propanoate
CID 24790916
N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939814
2-[N-Methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]-N-(2-methylphenyl)acetamide
CID 20926912
N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20969996
N-(2-Ethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926906
N-(2-fluorophenyl)-4-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]butanamide
CID 25854453
N-(3,4-difluorophenyl)-4-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]butanamide
CID 25854456
N-(4-(N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)sulfamoyl)phenyl)propionamide
CID 16905829
6-{5-[(4-Phenylpiperazin-1-YL)sulfonyl]thiophen-2-YL}-2,3-dihydropyridazin-3-one
CID 20923024
6-[5-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)thien-2-yl]pyridazin-3(2H)-one
CID 20923032
4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-1,3-dihydroquinoxalin-2-one
CID 20970033

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide (CID 20939816) is N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide is CCCN(c1ccccc1F)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide?
The InChIKey is UAEKVYNQKLRMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S2/c1-2-11-21(14-6-4-3-5-12(14)18)26(23,24)17-10-8-15(25-17)13-7-9-16(22)20-19-13/h3-10H,2,11H2,1H3,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide?
N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 20939816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).