N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C20H19F3N4O3S — CID 27649274

IUPACN-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H19F3N4O3S/c21-20(22,23)14-5-1-4-8-17(14)31(29,30)27-11-9-13(10-12-27)18(28)26-19-24-15-6-2-3-7-16(15)25-19/h1-8,13H,9-12H2,(H2,24,25,26,28)
InChIKeySNQXZQRYRCTDMG-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.62
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 27649274) has the molecular formula C20H19F3N4O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID27649274
Molecular FormulaC20H19F3N4O3S
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC NameN-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H19F3N4O3S/c21-20(22,23)14-5-1-4-8-17(14)31(29,30)27-11-9-13(10-12-27)18(28)26-19-24-15-6-2-3-7-16(15)25-19/h1-8,13H,9-12H2,(H2,24,25,26,28)
InChIKeySNQXZQRYRCTDMG-UHFFFAOYSA-N
XLogP3.62
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 146124527
N-(2-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46665454
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24573050
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
N-(2,6-diethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26880378
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638911
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
N-[2-(cyclohexanecarbonylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55806126
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26197093

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 27649274) is N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(Nc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is SNQXZQRYRCTDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3S/c21-20(22,23)14-5-1-4-8-17(14)31(29,30)27-11-9-13(10-12-27)18(28)26-19-24-15-6-2-3-7-16(15)25-19/h1-8,13H,9-12H2,(H2,24,25,26,28).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 27649274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).