N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide

C20H19N3O4S — CID 50752723

IUPACN-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-13-11-17(20(25)22-21-13)12-15-3-9-19(10-4-15)28(26,27)23-18-7-5-16(6-8-18)14(2)24/h3-11,23H,12H2,1-2H3,(H,22,25)
InChIKeyNJNUXNLQUAUTSJ-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.67
Rot. Bonds6

About N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide

N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide (PubChem CID 50752723) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide
PubChem CID50752723
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)cc1
InChIInChI=1S/C20H19N3O4S/c1-13-11-17(20(25)22-21-13)12-15-3-9-19(10-4-15)28(26,27)23-18-7-5-16(6-8-18)14(2)24/h3-11,23H,12H2,1-2H3,(H,22,25)
InChIKeyNJNUXNLQUAUTSJ-UHFFFAOYSA-N
XLogP2.67
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283
N-(3-chloro-4-fluorophenyl)-2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetamide
CID 51345598
[2-(methylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7741002
N-(4-acetylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629409
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943742
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
4-acetyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090386
(3,3-dimethyl-2-oxobutyl) 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7741006
[2-(dimethylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7740998
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide (CID 50752723) is N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide?
The InChIKey is NJNUXNLQUAUTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13-11-17(20(25)22-21-13)12-15-3-9-19(10-4-15)28(26,27)23-18-7-5-16(6-8-18)14(2)24/h3-11,23H,12H2,1-2H3,(H,22,25).
What are the key properties of N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide?
N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide has a molecular weight of 397.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 50752723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).