N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide

C28H24F4N6O3S — CID 122436799

IUPACN-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cccc(-c2c(-c3ccc(F)cc3)nc(C(F)(F)F)nc2N2CCNCC2c2ccccn2)c1
InChIInChI=1S/C28H24F4N6O3S/c1-17(39)37-42(40,41)21-6-4-5-19(15-21)24-25(18-8-10-20(29)11-9-18)35-27(28(30,31)32)36-26(24)38-14-13-33-16-23(38)22-7-2-3-12-34-22/h2-12,15,23,33H,13-14,16H2,1H3,(H,37,39)
InChIKeyOWZIYGVVYJWVEP-UHFFFAOYSA-N
MW600.60 g/mol
LogP4.34
Rot. Bonds6

About N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide

N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide (PubChem CID 122436799) has the molecular formula C28H24F4N6O3S and a molecular weight of 600.60 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide
PubChem CID122436799
Molecular FormulaC28H24F4N6O3S
Molecular Weight600.60 g/mol
Exact Mass600.16
IUPAC NameN-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cccc(-c2c(-c3ccc(F)cc3)nc(C(F)(F)F)nc2N2CCNCC2c2ccccn2)c1
InChIInChI=1S/C28H24F4N6O3S/c1-17(39)37-42(40,41)21-6-4-5-19(15-21)24-25(18-8-10-20(29)11-9-18)35-27(28(30,31)32)36-26(24)38-14-13-33-16-23(38)22-7-2-3-12-34-22/h2-12,15,23,33H,13-14,16H2,1H3,(H,37,39)
InChIKeyOWZIYGVVYJWVEP-UHFFFAOYSA-N
XLogP4.34
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.60
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide (CID 122436799) is N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1cccc(-c2c(-c3ccc(F)cc3)nc(C(F)(F)F)nc2N2CCNCC2c2ccccn2)c1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide?
The InChIKey is OWZIYGVVYJWVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4N6O3S/c1-17(39)37-42(40,41)21-6-4-5-19(15-21)24-25(18-8-10-20(29)11-9-18)35-27(28(30,31)32)36-26(24)38-14-13-33-16-23(38)22-7-2-3-12-34-22/h2-12,15,23,33H,13-14,16H2,1H3,(H,37,39).
What are the key properties of N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide?
N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide has a molecular weight of 600.60 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)-6-(2-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-5-yl]phenyl]sulfonylacetamide is sourced from PubChem (CID 122436799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).