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

C16H12Cl2N4O2S — CID 113050774

IUPACN-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(Cl)c(Cl)c2)nn1)c1ccccc1
InChIInChI=1S/C16H12Cl2N4O2S/c17-13-7-6-11(10-14(13)18)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)
InChIKeyAWBRUNJIBZAKKE-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.33
Rot. Bonds5

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

N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113050774) has the molecular formula C16H12Cl2N4O2S and a molecular weight of 395.27 g/mol. Its IUPAC name is N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113050774
Molecular FormulaC16H12Cl2N4O2S
Molecular Weight395.27 g/mol
Exact Mass394.01
IUPAC NameN-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(Cl)c(Cl)c2)nn1)c1ccccc1
InChIInChI=1S/C16H12Cl2N4O2S/c17-13-7-6-11(10-14(13)18)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)
InChIKeyAWBRUNJIBZAKKE-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-(3-chloro-4-methylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113047802
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 113235700
3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046777
N-[6-(3-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047503
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide (CID 113050774) is N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2ccc(Cl)c(Cl)c2)nn1)c1ccccc1.
What is the InChIKey of N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is AWBRUNJIBZAKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2S/c17-13-7-6-11(10-14(13)18)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-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide?
N-[6-(3,4-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-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113050774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).