N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C15H14F2N6O2S — CID 113050561

IUPACN-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C15H14F2N6O2S/c1-8-15(9(2)20-19-8)26(24,25)23-14-6-5-13(21-22-14)18-12-4-3-10(16)7-11(12)17/h3-7H,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyBOXVFKKXUJASDE-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.64
Rot. Bonds5

About N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113050561) has the molecular formula C15H14F2N6O2S and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113050561
Molecular FormulaC15H14F2N6O2S
Molecular Weight380.38 g/mol
Exact Mass380.09
IUPAC NameN-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C15H14F2N6O2S/c1-8-15(9(2)20-19-8)26(24,25)23-14-6-5-13(21-22-14)18-12-4-3-10(16)7-11(12)17/h3-7H,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyBOXVFKKXUJASDE-UHFFFAOYSA-N
XLogP2.64
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113050561) is N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2ccc(F)cc2F)nn1.
What is the InChIKey of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BOXVFKKXUJASDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2S/c1-8-15(9(2)20-19-8)26(24,25)23-14-6-5-13(21-22-14)18-12-4-3-10(16)7-11(12)17/h3-7H,1-2H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 380.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113050561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).