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

C17H19FN6O2S — CID 113042557

IUPACN-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NCCc2ccccc2F)nn1
InChIInChI=1S/C17H19FN6O2S/c1-11-17(12(2)21-20-11)27(25,26)24-16-8-7-15(22-23-16)19-10-9-13-5-3-4-6-14(13)18/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyDJXLOBNQRTYVGY-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.41
Rot. Bonds7

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

N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113042557) has the molecular formula C17H19FN6O2S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113042557
Molecular FormulaC17H19FN6O2S
Molecular Weight390.44 g/mol
Exact Mass390.13
IUPAC NameN-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NCCc2ccccc2F)nn1
InChIInChI=1S/C17H19FN6O2S/c1-11-17(12(2)21-20-11)27(25,26)24-16-8-7-15(22-23-16)19-10-9-13-5-3-4-6-14(13)18/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyDJXLOBNQRTYVGY-UHFFFAOYSA-N
XLogP2.41
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113042557) is N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NCCc2ccccc2F)nn1.
What is the InChIKey of N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DJXLOBNQRTYVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2S/c1-11-17(12(2)21-20-11)27(25,26)24-16-8-7-15(22-23-16)19-10-9-13-5-3-4-6-14(13)18/h3-8H,9-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 390.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113042557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).