N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine

C14H13F3N4O2S — CID 121187648

IUPACN-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C14H13F3N4O2S/c15-14(16,17)10-3-1-4-12(7-10)24(22,23)21-8-11(9-21)20-13-18-5-2-6-19-13/h1-7,11H,8-9H2,(H,18,19,20)
InChIKeyLEPMPYPMJDJZMS-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.98
Rot. Bonds4

About N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine

N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine (PubChem CID 121187648) has the molecular formula C14H13F3N4O2S and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine
PubChem CID121187648
Molecular FormulaC14H13F3N4O2S
Molecular Weight358.35 g/mol
Exact Mass358.07
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C14H13F3N4O2S/c15-14(16,17)10-3-1-4-12(7-10)24(22,23)21-8-11(9-21)20-13-18-5-2-6-19-13/h1-7,11H,8-9H2,(H,18,19,20)
InChIKeyLEPMPYPMJDJZMS-UHFFFAOYSA-N
XLogP1.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187627
N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
CID 121187641
N-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187664
N-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187637
(3aR,4S,6aS)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 66590521
1-[4-[3-(pyrimidin-2-ylamino)azetidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 119103832
(6aS)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 67414284
1-cyclohexyl-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 25069817
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233
3-propan-2-yl-5-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121098873

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine (CID 121187648) is N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC(Nc2ncccn2)C1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine?
The InChIKey is LEPMPYPMJDJZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S/c15-14(16,17)10-3-1-4-12(7-10)24(22,23)21-8-11(9-21)20-13-18-5-2-6-19-13/h1-7,11H,8-9H2,(H,18,19,20).
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine?
N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine has a molecular weight of 358.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 121187648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).