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

C20H21N3O3S — CID 23611834

IUPACN-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C
InChIInChI=1S/C20H21N3O3S/c1-4-23(17-7-5-6-14(2)12-17)27(25,26)19-13-16(9-8-15(19)3)18-10-11-20(24)22-21-18/h5-13H,4H2,1-3H3,(H,22,24)
InChIKeyRQWTWCFJXFFQQQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.27
Rot. Bonds5

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

N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 23611834) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID23611834
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C
InChIInChI=1S/C20H21N3O3S/c1-4-23(17-7-5-6-14(2)12-17)27(25,26)19-13-16(9-8-15(19)3)18-10-11-20(24)22-21-18/h5-13H,4H2,1-3H3,(H,22,24)
InChIKeyRQWTWCFJXFFQQQ-UHFFFAOYSA-N
XLogP3.27
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 23611834) is N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is RQWTWCFJXFFQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-23(17-7-5-6-14(2)12-17)27(25,26)19-13-16(9-8-15(19)3)18-10-11-20(24)22-21-18/h5-13H,4H2,1-3H3,(H,22,24).
What are the key properties of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 23611834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).