3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide

C14H11F2N5O2S — CID 166225138

IUPAC3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-n2nccc2NS(=O)(=O)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C14H11F2N5O2S/c1-9-2-5-13(19-18-9)21-14(6-7-17-21)20-24(22,23)10-3-4-11(15)12(16)8-10/h2-8,20H,1H3
InChIKeyAZMHYZRIJWUVQE-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.05
Rot. Bonds4

About 3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide

3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 166225138) has the molecular formula C14H11F2N5O2S and a molecular weight of 351.34 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide
PubChem CID166225138
Molecular FormulaC14H11F2N5O2S
Molecular Weight351.34 g/mol
Exact Mass351.06
IUPAC Name3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-n2nccc2NS(=O)(=O)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C14H11F2N5O2S/c1-9-2-5-13(19-18-9)21-14(6-7-17-21)20-24(22,23)10-3-4-11(15)12(16)8-10/h2-8,20H,1H3
InChIKeyAZMHYZRIJWUVQE-UHFFFAOYSA-N
XLogP2.05
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25046115
N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide
CID 25039958
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide
CID 122305668
4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90286006
3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683362
4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide
CID 90285799
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
CID 90285721
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide (CID 166225138) is 3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide is Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc(F)c(F)c2)nn1.
What is the InChIKey of 3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is AZMHYZRIJWUVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O2S/c1-9-2-5-13(19-18-9)21-14(6-7-17-21)20-24(22,23)10-3-4-11(15)12(16)8-10/h2-8,20H,1H3.
What are the key properties of 3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide?
3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 351.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 166225138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).