N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide

C20H22N4O2S — CID 113046405

IUPACN-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nn2)cc1C
InChIInChI=1S/C20H22N4O2S/c1-15-8-9-18(14-16(15)2)21-19-10-11-20(23-22-19)24-27(25,26)13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyQXCCZRRESVTXDD-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.82
Rot. Bonds7

About N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide

N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide (PubChem CID 113046405) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
PubChem CID113046405
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nn2)cc1C
InChIInChI=1S/C20H22N4O2S/c1-15-8-9-18(14-16(15)2)21-19-10-11-20(23-22-19)24-27(25,26)13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyQXCCZRRESVTXDD-UHFFFAOYSA-N
XLogP3.82
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]ethanesulfonamide
CID 113046386
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113049646
N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113047510
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113048267
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
CID 113046385
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
CID 113051393
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]ethanesulfonamide
CID 113041241
N-[5-(2-methoxy-5-methylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113034482
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113051676

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
The IUPAC name of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide (CID 113046405) is N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)CCc3ccccc3)nn2)cc1C.
What is the InChIKey of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
The InChIKey is QXCCZRRESVTXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-15-8-9-18(14-16(15)2)21-19-10-11-20(23-22-19)24-27(25,26)13-12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113046405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).