N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide

C17H17F3N4O3S — CID 59465873

IUPACN-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)C(F)(F)F
InChIInChI=1S/C17H17F3N4O3S/c18-17(19,20)16(25)24-9-6-13(7-10-24)12-1-3-14(4-2-12)28(26,27)23-15-5-8-21-11-22-15/h1-5,8,11,13H,6-7,9-10H2,(H,21,22,23)
InChIKeyDLNNKDLYZWMLMO-UHFFFAOYSA-N
MW414.41 g/mol
LogP2.55
Rot. Bonds4

About N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide

N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 59465873) has the molecular formula C17H17F3N4O3S and a molecular weight of 414.41 g/mol. Its IUPAC name is N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide
PubChem CID59465873
Molecular FormulaC17H17F3N4O3S
Molecular Weight414.41 g/mol
Exact Mass414.10
IUPAC NameN-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide
SMILESO=C(N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)C(F)(F)F
InChIInChI=1S/C17H17F3N4O3S/c18-17(19,20)16(25)24-9-6-13(7-10-24)12-1-3-14(4-2-12)28(26,27)23-15-5-8-21-11-22-15/h1-5,8,11,13H,6-7,9-10H2,(H,21,22,23)
InChIKeyDLNNKDLYZWMLMO-UHFFFAOYSA-N
XLogP2.55
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]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-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide (CID 59465873) is N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide is O=C(N1CCC(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)C(F)(F)F.
What is the InChIKey of N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is DLNNKDLYZWMLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3S/c18-17(19,20)16(25)24-9-6-13(7-10-24)12-1-3-14(4-2-12)28(26,27)23-15-5-8-21-11-22-15/h1-5,8,11,13H,6-7,9-10H2,(H,21,22,23).
What are the key properties of N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide?
N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 414.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-4-yl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 59465873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).