N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C20H21N3O3S — CID 53004371

IUPACN-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H21N3O3S/c1-4-15-7-8-16(17-9-10-20(24)22-21-17)12-19(15)27(25,26)23-18-11-13(2)5-6-14(18)3/h5-12,23H,4H2,1-3H3,(H,22,24)
InChIKeyUAPZQWRXBGAEHG-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.42
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 53004371) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID53004371
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H21N3O3S/c1-4-15-7-8-16(17-9-10-20(24)22-21-17)12-19(15)27(25,26)23-18-11-13(2)5-6-14(18)3/h5-12,23H,4H2,1-3H3,(H,22,24)
InChIKeyUAPZQWRXBGAEHG-UHFFFAOYSA-N
XLogP3.42
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 53054093
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 23611834
N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53054071
2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 46329426
3-[4-(benzylamino)-3-methylphenyl]-1H-pyridazin-6-one
CID 58254647
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
N-(2,3-dimethylphenyl)-2-ethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide
CID 50763892
N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide
CID 22586588
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
2-[methyl-[[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylmethyl]azaniumyl]acetate
CID 28623995
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-ethylphenyl]-1H-pyridazin-6-one
CID 20930607

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 53004371) is N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is UAPZQWRXBGAEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-15-7-8-16(17-9-10-20(24)22-21-17)12-19(15)27(25,26)23-18-11-13(2)5-6-14(18)3/h5-12,23H,4H2,1-3H3,(H,22,24).
What are the key properties of N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 53004371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).