N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H19F3N4O3S — CID 72718080

IUPACN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O3S/c18-17(19,20)27-13-4-6-14(7-5-13)28(25,26)22-12-15-21-9-8-16(23-15)24-10-2-1-3-11-24/h4-9,22H,1-3,10-12H2
InChIKeyWQODGDDICHHPPE-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.84
Rot. Bonds6

About N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 72718080) has the molecular formula C17H19F3N4O3S and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID72718080
Molecular FormulaC17H19F3N4O3S
Molecular Weight416.43 g/mol
Exact Mass416.11
IUPAC NameN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O3S/c18-17(19,20)27-13-4-6-14(7-5-13)28(25,26)22-12-15-21-9-8-16(23-15)24-10-2-1-3-11-24/h4-9,22H,1-3,10-12H2
InChIKeyWQODGDDICHHPPE-UHFFFAOYSA-N
XLogP2.84
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide 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-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 72718080) is N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is WQODGDDICHHPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3S/c18-17(19,20)27-13-4-6-14(7-5-13)28(25,26)22-12-15-21-9-8-16(23-15)24-10-2-1-3-11-24/h4-9,22H,1-3,10-12H2.
What are the key properties of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 416.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 72718080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).