N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide

C18H12ClF2N3O3S2 — CID 50838775

IUPACN-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(S(=O)(=O)c2cccc(F)c2)nn1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H12ClF2N3O3S2/c19-11-4-5-15(14(21)8-11)22-16(25)10-28-17-6-7-18(24-23-17)29(26,27)13-3-1-2-12(20)9-13/h1-9H,10H2,(H,22,25)
InChIKeyQOICMNJGDGKAQA-UHFFFAOYSA-N
MW455.90 g/mol
LogP3.97
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide

N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide (PubChem CID 50838775) has the molecular formula C18H12ClF2N3O3S2 and a molecular weight of 455.90 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
PubChem CID50838775
Molecular FormulaC18H12ClF2N3O3S2
Molecular Weight455.90 g/mol
Exact Mass455.00
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(S(=O)(=O)c2cccc(F)c2)nn1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H12ClF2N3O3S2/c19-11-4-5-15(14(21)8-11)22-16(25)10-28-17-6-7-18(24-23-17)29(26,27)13-3-1-2-12(20)9-13/h1-9H,10H2,(H,22,25)
InChIKeyQOICMNJGDGKAQA-UHFFFAOYSA-N
XLogP3.97
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.90
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
CID 50838911
N-(4-chloro-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 743539
N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900460
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 3250292
N-(4-chloro-2-fluorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8987716
N-(4-chloro-2-fluorophenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416583
N-(2,4-difluorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 18562224
N-(4-chloro-2-fluorophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9211542
N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526
N-(4-chloro-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66103783
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 41376788
2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide
CID 50838874

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide (CID 50838775) is N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(S(=O)(=O)c2cccc(F)c2)nn1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide?
The InChIKey is QOICMNJGDGKAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O3S2/c19-11-4-5-15(14(21)8-11)22-16(25)10-28-17-6-7-18(24-23-17)29(26,27)13-3-1-2-12(20)9-13/h1-9H,10H2,(H,22,25).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide?
N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide has a molecular weight of 455.90 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 50838775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).