N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide

C20H22N4O3S — CID 113048355

IUPACN-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)nn2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14(2)15-4-10-18(11-5-15)28(25,26)24-20-13-12-19(22-23-20)21-16-6-8-17(27-3)9-7-16/h4-14H,1-3H3,(H,21,22)(H,23,24)
InChIKeySVGVNLXTVIHFRW-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.15
Rot. Bonds7

About N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide

N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113048355) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113048355
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)nn2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14(2)15-4-10-18(11-5-15)28(25,26)24-20-13-12-19(22-23-20)21-16-6-8-17(27-3)9-7-16/h4-14H,1-3H3,(H,21,22)(H,23,24)
InChIKeySVGVNLXTVIHFRW-UHFFFAOYSA-N
XLogP4.15
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113048363
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046976
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113051596
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-4-methoxybenzenesulfonamide
CID 16802161
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
4-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478634

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide (CID 113048355) is N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide is COc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)nn2)cc1.
What is the InChIKey of N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is SVGVNLXTVIHFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14(2)15-4-10-18(11-5-15)28(25,26)24-20-13-12-19(22-23-20)21-16-6-8-17(27-3)9-7-16/h4-14H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113048355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).