N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide

C19H19FN4O2S — CID 113041506

IUPACN-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccc(F)cc3)nn2)cc1C
InChIInChI=1S/C19H19FN4O2S/c1-13-3-8-17(11-14(13)2)27(25,26)24-19-10-9-18(22-23-19)21-12-15-4-6-16(20)7-5-15/h3-11H,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyLUPFFSSQLBXQTL-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.65
Rot. Bonds6

About N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide

N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113041506) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID113041506
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC NameN-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccc(F)cc3)nn2)cc1C
InChIInChI=1S/C19H19FN4O2S/c1-13-3-8-17(11-14(13)2)27(25,26)24-19-10-9-18(22-23-19)21-12-15-4-6-16(20)7-5-15/h3-11H,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyLUPFFSSQLBXQTL-UHFFFAOYSA-N
XLogP3.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
CID 113040848
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113027464
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22203546
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113039373
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113051684
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide (CID 113041506) is N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCc3ccc(F)cc3)nn2)cc1C.
What is the InChIKey of N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is LUPFFSSQLBXQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-13-3-8-17(11-14(13)2)27(25,26)24-19-10-9-18(22-23-19)21-12-15-4-6-16(20)7-5-15/h3-11H,12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113041506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).