4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide

C17H14ClFN4O3S — CID 18775175

IUPAC4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc(NCc3ccc(F)cc3)c(Cl)c2=O)cc1
InChIInChI=1S/C17H14ClFN4O3S/c18-16-15(21-9-11-1-3-12(19)4-2-11)10-22-23(17(16)24)13-5-7-14(8-6-13)27(20,25)26/h1-8,10,21H,9H2,(H2,20,25,26)
InChIKeyXZXMGHFYLCTTBX-UHFFFAOYSA-N
MW408.84 g/mol
LogP2.28
Rot. Bonds5

About 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide

4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide (PubChem CID 18775175) has the molecular formula C17H14ClFN4O3S and a molecular weight of 408.84 g/mol. Its IUPAC name is 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide
PubChem CID18775175
Molecular FormulaC17H14ClFN4O3S
Molecular Weight408.84 g/mol
Exact Mass408.05
IUPAC Name4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc(NCc3ccc(F)cc3)c(Cl)c2=O)cc1
InChIInChI=1S/C17H14ClFN4O3S/c18-16-15(21-9-11-1-3-12(19)4-2-11)10-22-23(17(16)24)13-5-7-14(8-6-13)27(20,25)26/h1-8,10,21H,9H2,(H2,20,25,26)
InChIKeyXZXMGHFYLCTTBX-UHFFFAOYSA-N
XLogP2.28
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide (CID 18775175) is 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2ncc(NCc3ccc(F)cc3)c(Cl)c2=O)cc1.
What is the InChIKey of 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide?
The InChIKey is XZXMGHFYLCTTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O3S/c18-16-15(21-9-11-1-3-12(19)4-2-11)10-22-23(17(16)24)13-5-7-14(8-6-13)27(20,25)26/h1-8,10,21H,9H2,(H2,20,25,26).
What are the key properties of 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide?
4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide has a molecular weight of 408.84 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 18775175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).