N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C16H19FN4O2S — CID 5268333

IUPACN-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(Nc3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C16H19FN4O2S/c1-20-8-10-21(11-9-20)24(22,23)15-6-7-16(18-12-15)19-14-4-2-13(17)3-5-14/h2-7,12H,8-11H2,1H3,(H,18,19)
InChIKeyJYNNJOVFXRLLMD-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.90
Rot. Bonds4

About N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 5268333) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID5268333
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC NameN-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(Nc3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C16H19FN4O2S/c1-20-8-10-21(11-9-20)24(22,23)15-6-7-16(18-12-15)19-14-4-2-13(17)3-5-14/h2-7,12H,8-11H2,1H3,(H,18,19)
InChIKeyJYNNJOVFXRLLMD-UHFFFAOYSA-N
XLogP1.90
TPSA65.54 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 5268333) is N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(Nc3ccc(F)cc3)nc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is JYNNJOVFXRLLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-20-8-10-21(11-9-20)24(22,23)15-6-7-16(18-12-15)19-14-4-2-13(17)3-5-14/h2-7,12H,8-11H2,1H3,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 350.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 5268333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).