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

C19H19N3O3S — CID 23611833

IUPACN-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)c1
InChIInChI=1S/C19H19N3O3S/c1-12-4-5-13(2)17(10-12)22-26(24,25)18-11-15(7-6-14(18)3)16-8-9-19(23)21-20-16/h4-11,22H,1-3H3,(H,21,23)
InChIKeyRKRUEDVFTXGIMZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.16
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 23611833) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID23611833
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)c1
InChIInChI=1S/C19H19N3O3S/c1-12-4-5-13(2)17(10-12)22-26(24,25)18-11-15(7-6-14(18)3)16-8-9-19(23)21-20-16/h4-11,22H,1-3H3,(H,21,23)
InChIKeyRKRUEDVFTXGIMZ-UHFFFAOYSA-N
XLogP3.16
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 23611833) is N-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is RKRUEDVFTXGIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-4-5-13(2)17(10-12)22-26(24,25)18-11-15(7-6-14(18)3)16-8-9-19(23)21-20-16/h4-11,22H,1-3H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
N-(2,5-dimethylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.16, 4 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-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 23611833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).