4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide

C17H15ClN4O3S — CID 113048349

IUPAC4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C17H15ClN4O3S/c1-25-14-6-4-13(5-7-14)19-16-10-11-17(21-20-16)22-26(23,24)15-8-2-12(18)3-9-15/h2-11H,1H3,(H,19,20)(H,21,22)
InChIKeyLIOPZDCSQLLFCL-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.68
Rot. Bonds6

About 4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide

4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113048349) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113048349
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C17H15ClN4O3S/c1-25-14-6-4-13(5-7-14)19-16-10-11-17(21-20-16)22-26(23,24)15-8-2-12(18)3-9-15/h2-11H,1H3,(H,19,20)(H,21,22)
InChIKeyLIOPZDCSQLLFCL-UHFFFAOYSA-N
XLogP3.68
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113048355
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113048363
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113051596
4-chloro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478598
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-4-methoxybenzenesulfonamide
CID 16802161
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
CID 113037637
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide (CID 113048349) is 4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide is COc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is LIOPZDCSQLLFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-25-14-6-4-13(5-7-14)19-16-10-11-17(21-20-16)22-26(23,24)15-8-2-12(18)3-9-15/h2-11H,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide?
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 390.85 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113048349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).