N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide

C19H19N3O2S — CID 162643157

IUPACN-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
SMILESCCc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
InChIInChI=1S/C19H19N3O2S/c1-3-15-6-4-5-7-17(15)18-12-13-19(21-20-18)22-25(23,24)16-10-8-14(2)9-11-16/h4-13H,3H2,1-2H3,(H,21,22)
InChIKeyXDOSUKCIPXDELO-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.82
Rot. Bonds5

About N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide

N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide (PubChem CID 162643157) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
PubChem CID162643157
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
SMILESCCc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
InChIInChI=1S/C19H19N3O2S/c1-3-15-6-4-5-7-17(15)18-12-13-19(21-20-18)22-25(23,24)16-10-8-14(2)9-11-16/h4-13H,3H2,1-2H3,(H,21,22)
InChIKeyXDOSUKCIPXDELO-UHFFFAOYSA-N
XLogP3.82
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047417
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113039369

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide (CID 162643157) is N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide is CCc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1.
What is the InChIKey of N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is XDOSUKCIPXDELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-15-6-4-5-7-17(15)18-12-13-19(21-20-18)22-25(23,24)16-10-8-14(2)9-11-16/h4-13H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide?
N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 162643157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).