N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C20H22FN5O3S2 — CID 20923083

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)s2)n[nH]1
InChIInChI=1S/C20H22FN5O3S2/c21-15-3-1-2-4-17(15)26-13-11-25(12-14-26)10-9-22-31(28,29)20-8-6-18(30-20)16-5-7-19(27)24-23-16/h1-8,22H,9-14H2,(H,24,27)
InChIKeyHMJAQLOAOQHFGW-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.74
Rot. Bonds7

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923083) has the molecular formula C20H22FN5O3S2 and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923083
Molecular FormulaC20H22FN5O3S2
Molecular Weight463.56 g/mol
Exact Mass463.11
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)s2)n[nH]1
InChIInChI=1S/C20H22FN5O3S2/c21-15-3-1-2-4-17(15)26-13-11-25(12-14-26)10-9-22-31(28,29)20-8-6-18(30-20)16-5-7-19(27)24-23-16/h1-8,22H,9-14H2,(H,24,27)
InChIKeyHMJAQLOAOQHFGW-UHFFFAOYSA-N
XLogP1.74
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-({1-[(2-Fluorophenyl)methyl]piperidin-4-YL}methyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939843
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
2-[N-Methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]-N-(2-methylphenyl)acetamide
CID 20926912
N-({1-[(3-Fluorophenyl)methyl]piperidin-4-YL}methyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20939852
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
2-{4-[4-(p-fluorophenyl)-1-piperazinyl]-4-oxobutyl}-6-(2-thienyl)-3(2H)-pyridazinone
CID 25854435
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-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923083) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)s2)n[nH]1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is HMJAQLOAOQHFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3S2/c21-15-3-1-2-4-17(15)26-13-11-25(12-14-26)10-9-22-31(28,29)20-8-6-18(30-20)16-5-7-19(27)24-23-16/h1-8,22H,9-14H2,(H,24,27).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 463.56 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).