N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide

C11H9F3N4O2S — CID 113051513

IUPACN-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C11H9F3N4O2S/c1-21(19,20)18-9-5-4-8(16-17-9)15-7-3-2-6(12)10(13)11(7)14/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyBBFRWJNIESYQFI-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.01
Rot. Bonds4

About N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide

N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide (PubChem CID 113051513) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide
PubChem CID113051513
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC NameN-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C11H9F3N4O2S/c1-21(19,20)18-9-5-4-8(16-17-9)15-7-3-2-6(12)10(13)11(7)14/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyBBFRWJNIESYQFI-UHFFFAOYSA-N
XLogP2.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047692
N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113045649
2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide
CID 113051469
N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109109786
4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051478
N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047098
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
CID 113046385
1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
CID 113051505
3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051480
4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050548
3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113050806

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide (CID 113051513) is N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nn1.
What is the InChIKey of N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide?
The InChIKey is BBFRWJNIESYQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c1-21(19,20)18-9-5-4-8(16-17-9)15-7-3-2-6(12)10(13)11(7)14/h2-5H,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide?
N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide has a molecular weight of 318.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 113051513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).