N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide

C21H20ClFN4O4S — CID 51345598

IUPACN-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide
SMILESCc1cc(Cc2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(F)c(Cl)c3)cc2)c(=O)[nH]n1
InChIInChI=1S/C21H20ClFN4O4S/c1-13-9-15(21(29)26-25-13)10-14-3-6-17(7-4-14)32(30,31)27(2)12-20(28)24-16-5-8-19(23)18(22)11-16/h3-9,11H,10,12H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyNAKIDXCGMKMNJB-UHFFFAOYSA-N
MW478.93 g/mol
LogP2.72
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide (PubChem CID 51345598) has the molecular formula C21H20ClFN4O4S and a molecular weight of 478.93 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide
PubChem CID51345598
Molecular FormulaC21H20ClFN4O4S
Molecular Weight478.93 g/mol
Exact Mass478.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide
SMILESCc1cc(Cc2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(F)c(Cl)c3)cc2)c(=O)[nH]n1
InChIInChI=1S/C21H20ClFN4O4S/c1-13-9-15(21(29)26-25-13)10-14-3-6-17(7-4-14)32(30,31)27(2)12-20(28)24-16-5-8-19(23)18(22)11-16/h3-9,11H,10,12H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyNAKIDXCGMKMNJB-UHFFFAOYSA-N
XLogP2.72
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.93
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide
CID 30329958
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 45374381
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26835965
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034182
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide
CID 47075268
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1022058
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100792364

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide (CID 51345598) is N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide is Cc1cc(Cc2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(F)c(Cl)c3)cc2)c(=O)[nH]n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide?
The InChIKey is NAKIDXCGMKMNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O4S/c1-13-9-15(21(29)26-25-13)10-14-3-6-17(7-4-14)32(30,31)27(2)12-20(28)24-16-5-8-19(23)18(22)11-16/h3-9,11H,10,12H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide has a molecular weight of 478.93 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 51345598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).