N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C19H21F3N4O3S — CID 55910572

IUPACN-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)C2CCCN(c3ncccc3C(F)(F)F)C2)cc1
InChIInChI=1S/C19H21F3N4O3S/c20-19(21,22)16-4-1-9-24-17(16)26-10-2-3-14(11-26)18(27)25-15-7-5-13(6-8-15)12-30(23,28)29/h1,4-9,14H,2-3,10-12H2,(H,25,27)(H2,23,28,29)
InChIKeyWWFIVJCYLPCDQU-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.74
Rot. Bonds5

About N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55910572) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55910572
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC NameN-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)C2CCCN(c3ncccc3C(F)(F)F)C2)cc1
InChIInChI=1S/C19H21F3N4O3S/c20-19(21,22)16-4-1-9-24-17(16)26-10-2-3-14(11-26)18(27)25-15-7-5-13(6-8-15)12-30(23,28)29/h1,4-9,14H,2-3,10-12H2,(H,25,27)(H2,23,28,29)
InChIKeyWWFIVJCYLPCDQU-UHFFFAOYSA-N
XLogP2.74
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 55719268
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 51955026
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 46485215
methyl 2-[[(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 51955858
N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55712610
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55794757
N'-[2-(2-ethoxyphenoxy)acetyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55712443
ethyl 3-methyl-5-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 55755895
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55712374
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55722451

Frequently Asked Questions

What is the IUPAC name of N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 55910572) is N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is NS(=O)(=O)Cc1ccc(NC(=O)C2CCCN(c3ncccc3C(F)(F)F)C2)cc1.
What is the InChIKey of N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is WWFIVJCYLPCDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c20-19(21,22)16-4-1-9-24-17(16)26-10-2-3-14(11-26)18(27)25-15-7-5-13(6-8-15)12-30(23,28)29/h1,4-9,14H,2-3,10-12H2,(H,25,27)(H2,23,28,29).
What are the key properties of N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 442.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55910572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).