N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide

C14H10F2N4O2S2 — CID 113051603

IUPACN-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2c(F)cccc2F)nn1)c1cccs1
InChIInChI=1S/C14H10F2N4O2S2/c15-9-3-1-4-10(16)14(9)17-11-6-7-12(19-18-11)20-24(21,22)13-5-2-8-23-13/h1-8H,(H,17,18)(H,19,20)
InChIKeyKMXJJGCZMSCERS-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.36
Rot. Bonds5

About N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide

N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide (PubChem CID 113051603) has the molecular formula C14H10F2N4O2S2 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide
PubChem CID113051603
Molecular FormulaC14H10F2N4O2S2
Molecular Weight368.39 g/mol
Exact Mass368.02
IUPAC NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2c(F)cccc2F)nn1)c1cccs1
InChIInChI=1S/C14H10F2N4O2S2/c15-9-3-1-4-10(16)14(9)17-11-6-7-12(19-18-11)20-24(21,22)13-5-2-8-23-13/h1-8H,(H,17,18)(H,19,20)
InChIKeyKMXJJGCZMSCERS-UHFFFAOYSA-N
XLogP3.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113051596
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262
N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113044334
N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113047104
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590
N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 893587
N-(3-fluoro-2-sulfamoylphenyl)thiophene-2-sulfonamide
CID 122150617
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-(5-bromo-2-pyridinyl)thiophene-2-sulfonamide
CID 778331
N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 17378925
N-[5-(4-chloroanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033430
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide (CID 113051603) is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Nc2c(F)cccc2F)nn1)c1cccs1.
What is the InChIKey of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The InChIKey is KMXJJGCZMSCERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2S2/c15-9-3-1-4-10(16)14(9)17-11-6-7-12(19-18-11)20-24(21,22)13-5-2-8-23-13/h1-8H,(H,17,18)(H,19,20).
What are the key properties of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide has a molecular weight of 368.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 113051603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).