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

C18H17ClN4O2S — CID 113047510

IUPACN-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C18H17ClN4O2S/c19-15-7-4-8-16(13-15)20-17-9-10-18(22-21-17)23-26(24,25)12-11-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,20,21)(H,22,23)
InChIKeyNJXYNLQNGMDIQD-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.86
Rot. Bonds7

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

N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide (PubChem CID 113047510) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
PubChem CID113047510
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C18H17ClN4O2S/c19-15-7-4-8-16(13-15)20-17-9-10-18(22-21-17)23-26(24,25)12-11-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,20,21)(H,22,23)
InChIKeyNJXYNLQNGMDIQD-UHFFFAOYSA-N
XLogP3.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113048267
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113046405
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113049646
N-[6-(3-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047503
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
CID 113051393
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
CID 112987053
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]ethanesulfonamide
CID 113041241
N-(3-chlorophenyl)-6-hydrazinylpyridazin-3-amine
CID 59363292
N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113047502
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide
CID 113048992

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
The IUPAC name of N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide (CID 113047510) is N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2)nn1.
What is the InChIKey of N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
The InChIKey is NJXYNLQNGMDIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c19-15-7-4-8-16(13-15)20-17-9-10-18(22-21-17)23-26(24,25)12-11-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,20,21)(H,22,23).
What are the key properties of N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide?
N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloroanilino)pyridazin-3-yl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113047510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).