4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide

C20H21N3O3S — CID 46270728

IUPAC4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cc(Cc2ccc(S(=O)(=O)NCc3ccccc3C)cc2)c(=O)[nH]n1
InChIInChI=1S/C20H21N3O3S/c1-14-5-3-4-6-17(14)13-21-27(25,26)19-9-7-16(8-10-19)12-18-11-15(2)22-23-20(18)24/h3-11,21H,12-13H2,1-2H3,(H,23,24)
InChIKeyHXWYQQSHTCZBBF-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.46
Rot. Bonds6

About 4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide

4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 46270728) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID46270728
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cc(Cc2ccc(S(=O)(=O)NCc3ccccc3C)cc2)c(=O)[nH]n1
InChIInChI=1S/C20H21N3O3S/c1-14-5-3-4-6-17(14)13-21-27(25,26)19-9-7-16(8-10-19)12-18-11-15(2)22-23-20(18)24/h3-11,21H,12-13H2,1-2H3,(H,23,24)
InChIKeyHXWYQQSHTCZBBF-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide
CID 50752723
3-methyl-5-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyridazin-6-one
CID 46270732
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640
3-methyl-5-[(3-methyl-2-pyridinyl)methyl]-1H-pyridazin-6-one
CID 53418846
4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 82843640
5-[(4-butoxyphenyl)methyl]-3-methyl-1H-pyridazin-6-one
CID 53417824
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 115602469
2-[[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzoyl]amino]acetic acid
CID 138715910
N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109058575
4-amino-3-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 81440805

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 46270728) is 4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1cc(Cc2ccc(S(=O)(=O)NCc3ccccc3C)cc2)c(=O)[nH]n1.
What is the InChIKey of 4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is HXWYQQSHTCZBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-5-3-4-6-17(14)13-21-27(25,26)19-9-7-16(8-10-19)12-18-11-15(2)22-23-20(18)24/h3-11,21H,12-13H2,1-2H3,(H,23,24).
What are the key properties of 4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide?
4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46270728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).