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

C15H15FN6O2S — CID 113047233

IUPACN-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C15H15FN6O2S/c1-9-15(10(2)19-18-9)25(23,24)22-14-8-7-13(20-21-14)17-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyRHVJKIDOBNITNM-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.50
Rot. Bonds5

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

N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113047233) has the molecular formula C15H15FN6O2S and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113047233
Molecular FormulaC15H15FN6O2S
Molecular Weight362.39 g/mol
Exact Mass362.10
IUPAC NameN-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C15H15FN6O2S/c1-9-15(10(2)19-18-9)25(23,24)22-14-8-7-13(20-21-14)17-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyRHVJKIDOBNITNM-UHFFFAOYSA-N
XLogP2.50
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113047233) is N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2ccccc2F)nn1.
What is the InChIKey of N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RHVJKIDOBNITNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O2S/c1-9-15(10(2)19-18-9)25(23,24)22-14-8-7-13(20-21-14)17-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 362.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113047233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).