N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide

C17H15ClN4O3S — CID 113047413

IUPACN-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C17H15ClN4O3S/c1-25-12-6-8-13(9-7-12)26(23,24)22-17-11-10-16(20-21-17)19-15-5-3-2-4-14(15)18/h2-11H,1H3,(H,19,20)(H,21,22)
InChIKeyYAGJHRPHLDBDFV-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.68
Rot. Bonds6

About N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide

N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 113047413) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID113047413
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC NameN-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C17H15ClN4O3S/c1-25-12-6-8-13(9-7-12)26(23,24)22-17-11-10-16(20-21-17)19-15-5-3-2-4-14(15)18/h2-11H,1H3,(H,19,20)(H,21,22)
InChIKeyYAGJHRPHLDBDFV-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-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047417
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113051596
N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113048355
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 43812672
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide (CID 113047413) is N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nn2)cc1.
What is the InChIKey of N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is YAGJHRPHLDBDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-25-12-6-8-13(9-7-12)26(23,24)22-17-11-10-16(20-21-17)19-15-5-3-2-4-14(15)18/h2-11H,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide?
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide 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 N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113047413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).