3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide

C22H24ClF3N4O4S — CID 67341713

IUPAC3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
SMILESCS(=O)(=O)c1cnc(N2CCC(CC(=O)NCC(F)(F)F)CC2)c(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C22H24ClF3N4O4S/c1-35(33,34)17-11-18(29-21(32)15-3-2-4-16(23)10-15)20(27-12-17)30-7-5-14(6-8-30)9-19(31)28-13-22(24,25)26/h2-4,10-12,14H,5-9,13H2,1H3,(H,28,31)(H,29,32)
InChIKeyQNTLTTQBBADLAE-UHFFFAOYSA-N
MW532.97 g/mol
LogP3.68
Rot. Bonds7

About 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide

3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 67341713) has the molecular formula C22H24ClF3N4O4S and a molecular weight of 532.97 g/mol. Its IUPAC name is 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
PubChem CID67341713
Molecular FormulaC22H24ClF3N4O4S
Molecular Weight532.97 g/mol
Exact Mass532.12
IUPAC Name3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
SMILESCS(=O)(=O)c1cnc(N2CCC(CC(=O)NCC(F)(F)F)CC2)c(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C22H24ClF3N4O4S/c1-35(33,34)17-11-18(29-21(32)15-3-2-4-16(23)10-15)20(27-12-17)30-7-5-14(6-8-30)9-19(31)28-13-22(24,25)26/h2-4,10-12,14H,5-9,13H2,1H3,(H,28,31)(H,29,32)
InChIKeyQNTLTTQBBADLAE-UHFFFAOYSA-N
XLogP3.68
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.97
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide 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 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide (CID 67341713) is 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide is CS(=O)(=O)c1cnc(N2CCC(CC(=O)NCC(F)(F)F)CC2)c(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is QNTLTTQBBADLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N4O4S/c1-35(33,34)17-11-18(29-21(32)15-3-2-4-16(23)10-15)20(27-12-17)30-7-5-14(6-8-30)9-19(31)28-13-22(24,25)26/h2-4,10-12,14H,5-9,13H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide?
3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 532.97 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 67341713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).