N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine

C16H19FN4O2S — CID 99822234

IUPACN-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine
SMILESCc1cccc(F)c1S(=O)(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H19FN4O2S/c1-12-4-2-5-14(17)16(12)24(22,23)21-10-7-13(8-11-21)19-15-6-3-9-18-20-15/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,20)
InChIKeyWCUMLCQUNVRSKV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.19
Rot. Bonds4

About N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine

N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine (PubChem CID 99822234) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine
PubChem CID99822234
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC NameN-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine
SMILESCc1cccc(F)c1S(=O)(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H19FN4O2S/c1-12-4-2-5-14(17)16(12)24(22,23)21-10-7-13(8-11-21)19-15-6-3-9-18-20-15/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,20)
InChIKeyWCUMLCQUNVRSKV-UHFFFAOYSA-N
XLogP2.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine?
The IUPAC name of N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine (CID 99822234) is N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine.
What is the SMILES notation for N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine?
The canonical SMILES for N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine is Cc1cccc(F)c1S(=O)(=O)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine?
The InChIKey is WCUMLCQUNVRSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-12-4-2-5-14(17)16(12)24(22,23)21-10-7-13(8-11-21)19-15-6-3-9-18-20-15/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,20).
What are the key properties of N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine?
N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine has a molecular weight of 350.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-methylphenyl)sulfonylpiperidin-4-yl]pyridazin-3-amine is sourced from PubChem (CID 99822234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).