2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide

C18H12ClF2N3O4S — CID 53073408

IUPAC2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H12ClF2N3O4S/c19-11-1-4-13(5-2-11)29(27,28)17-7-8-18(26)24(23-17)10-16(25)22-12-3-6-14(20)15(21)9-12/h1-9H,10H2,(H,22,25)
InChIKeyDUUNNICSUISEPB-UHFFFAOYSA-N
MW439.83 g/mol
LogP2.65
Rot. Bonds5

About 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide

2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide (PubChem CID 53073408) has the molecular formula C18H12ClF2N3O4S and a molecular weight of 439.83 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
PubChem CID53073408
Molecular FormulaC18H12ClF2N3O4S
Molecular Weight439.83 g/mol
Exact Mass439.02
IUPAC Name2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H12ClF2N3O4S/c19-11-1-4-13(5-2-11)29(27,28)17-7-8-18(26)24(23-17)10-16(25)22-12-3-6-14(20)15(21)9-12/h1-9H,10H2,(H,22,25)
InChIKeyDUUNNICSUISEPB-UHFFFAOYSA-N
XLogP2.65
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.83
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073396
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53073409
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53073417
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53073457
N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073682
N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073446
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121051659
N-(3,4-difluorophenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53051316
N-[2-(4-chlorophenyl)ethyl]-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073676
N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043652
2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53073514
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide (CID 53073408) is 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide is O=C(Cn1nc(S(=O)(=O)c2ccc(Cl)cc2)ccc1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is DUUNNICSUISEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O4S/c19-11-1-4-13(5-2-11)29(27,28)17-7-8-18(26)24(23-17)10-16(25)22-12-3-6-14(20)15(21)9-12/h1-9H,10H2,(H,22,25).
What are the key properties of 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide?
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 439.83 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 53073408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).