N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide

C16H12Cl2N4O2S — CID 113050807

IUPACN-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(Cl)cc2Cl)nn1)c1ccccc1
InChIInChI=1S/C16H12Cl2N4O2S/c17-11-6-7-14(13(18)10-11)19-15-8-9-16(21-20-15)22-25(23,24)12-4-2-1-3-5-12/h1-10H,(H,19,20)(H,21,22)
InChIKeyCCSZLBUFXIWZIN-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.33
Rot. Bonds5

About N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide

N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113050807) has the molecular formula C16H12Cl2N4O2S and a molecular weight of 395.27 g/mol. Its IUPAC name is N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113050807
Molecular FormulaC16H12Cl2N4O2S
Molecular Weight395.27 g/mol
Exact Mass394.01
IUPAC NameN-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(Cl)cc2Cl)nn1)c1ccccc1
InChIInChI=1S/C16H12Cl2N4O2S/c17-11-6-7-14(13(18)10-11)19-15-8-9-16(21-20-15)22-25(23,24)12-4-2-1-3-5-12/h1-10H,(H,19,20)(H,21,22)
InChIKeyCCSZLBUFXIWZIN-UHFFFAOYSA-N
XLogP4.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774
3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113050806
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050804
4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050548
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047417
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046629
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046608
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide (CID 113050807) is N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2ccc(Cl)cc2Cl)nn1)c1ccccc1.
What is the InChIKey of N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is CCSZLBUFXIWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2S/c17-11-6-7-14(13(18)10-11)19-15-8-9-16(21-20-15)22-25(23,24)12-4-2-1-3-5-12/h1-10H,(H,19,20)(H,21,22).
What are the key properties of N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide?
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 395.27 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113050807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).