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

C18H17ClN4O2S — CID 113047417

IUPACN-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C18H17ClN4O2S/c1-2-13-7-9-14(10-8-13)26(24,25)23-18-12-11-17(21-22-18)20-16-6-4-3-5-15(16)19/h3-12H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyHQJXBOPMROMJTK-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.24
Rot. Bonds6

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

N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide (PubChem CID 113047417) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
PubChem CID113047417
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C18H17ClN4O2S/c1-2-13-7-9-14(10-8-13)26(24,25)23-18-12-11-17(21-22-18)20-16-6-4-3-5-15(16)19/h3-12H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyHQJXBOPMROMJTK-UHFFFAOYSA-N
XLogP4.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
N-[6-(3-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047503
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046777
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113039144
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046608
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide (CID 113047417) is N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3Cl)nn2)cc1.
What is the InChIKey of N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide?
The InChIKey is HQJXBOPMROMJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-2-13-7-9-14(10-8-13)26(24,25)23-18-12-11-17(21-22-18)20-16-6-4-3-5-15(16)19/h3-12H,2H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide?
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 113047417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).