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

C20H21N3O3S — CID 53054093

IUPAC2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-3-15-9-10-17(18-11-12-20(24)22-21-18)13-19(15)27(25,26)23-14(2)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3,(H,22,24)
InChIKeyNJJOHWBCUUKXKE-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.04
Rot. Bonds6

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

2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 53054093) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID53054093
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-3-15-9-10-17(18-11-12-20(24)22-21-18)13-19(15)27(25,26)23-14(2)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3,(H,22,24)
InChIKeyNJJOHWBCUUKXKE-UHFFFAOYSA-N
XLogP3.04
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53004371
3-(3-chloro-4-ethylphenyl)-1H-pyridazin-6-one
CID 21406312
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-ethylphenyl]-1H-pyridazin-6-one
CID 20930607
2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 2937094
3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one
CID 121205925
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide
CID 22586588
N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53054071
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
ethyl 1-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpiperidine-3-carboxylate
CID 53004384
2-methyl-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 94009680
4-ethyl-2-methyl-1-oxo-N-[(1S)-1-phenylethyl]pyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 95103498

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide (CID 53054093) is 2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide is CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is NJJOHWBCUUKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-15-9-10-17(18-11-12-20(24)22-21-18)13-19(15)27(25,26)23-14(2)16-7-5-4-6-8-16/h4-14,23H,3H2,1-2H3,(H,22,24).
What are the key properties of 2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide?
2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 53054093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).