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

C16H11ClF2N4O2S — CID 113050548

IUPAC4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(F)cc2F)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF2N4O2S/c17-10-1-4-12(5-2-10)26(24,25)23-16-8-7-15(21-22-16)20-14-6-3-11(18)9-13(14)19/h1-9H,(H,20,21)(H,22,23)
InChIKeyLDBUSQGQKVMBAA-UHFFFAOYSA-N
MW396.81 g/mol
LogP3.95
Rot. Bonds5

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

4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113050548) has the molecular formula C16H11ClF2N4O2S and a molecular weight of 396.81 g/mol. Its IUPAC name is 4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113050548
Molecular FormulaC16H11ClF2N4O2S
Molecular Weight396.81 g/mol
Exact Mass396.03
IUPAC Name4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(F)cc2F)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF2N4O2S/c17-10-1-4-12(5-2-10)26(24,25)23-16-8-7-15(21-22-16)20-14-6-3-11(18)9-13(14)19/h1-9H,(H,20,21)(H,22,23)
InChIKeyLDBUSQGQKVMBAA-UHFFFAOYSA-N
XLogP3.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113050551
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113050558
4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113047218
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113046610
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
N-(2-chlorophenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109128642

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide (CID 113050548) is 4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2ccc(F)cc2F)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is LDBUSQGQKVMBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O2S/c17-10-1-4-12(5-2-10)26(24,25)23-16-8-7-15(21-22-16)20-14-6-3-11(18)9-13(14)19/h1-9H,(H,20,21)(H,22,23).
What are the key properties of 4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide?
4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 396.81 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113050548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).