N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide

C18H14F7N3O3S — CID 51042453

IUPACN-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C18H14F7N3O3S/c19-11-5-10(17(20,21)22)6-13(7-11)32(30,31)12-3-9(4-12)8-27-15(29)14-1-2-26-16(28-14)18(23,24)25/h1-2,5-7,9,12H,3-4,8H2,(H,27,29)
InChIKeyPQRSWBQAONLYQO-UHFFFAOYSA-N
MW485.38 g/mol
LogP3.64
Rot. Bonds5

About N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide

N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 51042453) has the molecular formula C18H14F7N3O3S and a molecular weight of 485.38 g/mol. Its IUPAC name is N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID51042453
Molecular FormulaC18H14F7N3O3S
Molecular Weight485.38 g/mol
Exact Mass485.06
IUPAC NameN-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C18H14F7N3O3S/c19-11-5-10(17(20,21)22)6-13(7-11)32(30,31)12-3-9(4-12)8-27-15(29)14-1-2-26-16(28-14)18(23,24)25/h1-2,5-7,9,12H,3-4,8H2,(H,27,29)
InChIKeyPQRSWBQAONLYQO-UHFFFAOYSA-N
XLogP3.64
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide 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-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 51042453) is N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide is O=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is PQRSWBQAONLYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F7N3O3S/c19-11-5-10(17(20,21)22)6-13(7-11)32(30,31)12-3-9(4-12)8-27-15(29)14-1-2-26-16(28-14)18(23,24)25/h1-2,5-7,9,12H,3-4,8H2,(H,27,29).
What are the key properties of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide?
N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 485.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 51042453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).