N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

C17H18FN3O4S — CID 53073610

IUPACN-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NC1CCCC1
InChIInChI=1S/C17H18FN3O4S/c18-12-4-3-7-14(10-12)26(24,25)16-8-9-17(23)21(20-16)11-15(22)19-13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2,(H,19,22)
InChIKeyPHNFJNGWNWCHSS-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.27
Rot. Bonds5

About N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 53073610) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID53073610
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NC1CCCC1
InChIInChI=1S/C17H18FN3O4S/c18-12-4-3-7-14(10-12)26(24,25)16-8-9-17(23)21(20-16)11-15(22)19-13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2,(H,19,22)
InChIKeyPHNFJNGWNWCHSS-UHFFFAOYSA-N
XLogP1.27
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)-N-isopentylacetamide
CID 52905747
N-cyclohexyl-2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 49668562
2-[3-(3-fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[(oxolan-2-yl)methyl]acetamide
CID 49668567
2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 52319275
2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 52319276
N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073606
2-[3-[(3-fluorophenyl)sulfonyl]-6-oxopyridazin-1(6H)-yl]acetamide
CID 53073612
2-(2-(4-((4-fluorophenyl)sulfonyl)piperidin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 71808830
N~1~-[2-(1-cyclohexenyl)ethyl]-2-[3-[(3-fluorophenyl)sulfonyl]-6-oxo-1(6H)-pyridazinyl]acetamide
CID 84222778
2-[3-(3-Fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[(thiophen-2-YL)methyl]acetamide
CID 84222788
N-(Butan-2-YL)-2-[3-(3-fluorobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]acetamide
CID 86810342
N-[(2R)-butan-2-yl]-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 97545394

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 53073610) is N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is PHNFJNGWNWCHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c18-12-4-3-7-14(10-12)26(24,25)16-8-9-17(23)21(20-16)11-15(22)19-13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2,(H,19,22).
What are the key properties of N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 379.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53073610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).