N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C18H16F3N5O3S — CID 56548574

IUPACN-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C18H16F3N5O3S/c19-18(20,21)13-4-3-6-15(10-13)30(28,29)23-11-17(27)24-16-7-9-26(25-16)12-14-5-1-2-8-22-14/h1-10,23H,11-12H2,(H,24,25,27)
InChIKeyWTQDIXQPBSLZPS-UHFFFAOYSA-N
MW439.42 g/mol
LogP2.26
Rot. Bonds7

About N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 56548574) has the molecular formula C18H16F3N5O3S and a molecular weight of 439.42 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID56548574
Molecular FormulaC18H16F3N5O3S
Molecular Weight439.42 g/mol
Exact Mass439.09
IUPAC NameN-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C18H16F3N5O3S/c19-18(20,21)13-4-3-6-15(10-13)30(28,29)23-11-17(27)24-16-7-9-26(25-16)12-14-5-1-2-8-22-14/h1-10,23H,11-12H2,(H,24,25,27)
InChIKeyWTQDIXQPBSLZPS-UHFFFAOYSA-N
XLogP2.26
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 56548574) is N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccn(Cc2ccccn2)n1.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is WTQDIXQPBSLZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3S/c19-18(20,21)13-4-3-6-15(10-13)30(28,29)23-11-17(27)24-16-7-9-26(25-16)12-14-5-1-2-8-22-14/h1-10,23H,11-12H2,(H,24,25,27).
What are the key properties of N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 439.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 56548574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).