N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide

C17H23F3N2O3S — CID 108563028

IUPACN-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O3S/c1-2-3-12-26(24,25)22-10-8-15(9-11-22)21-16(23)13-4-6-14(7-5-13)17(18,19)20/h4-7,15H,2-3,8-12H2,1H3,(H,21,23)
InChIKeyQTNWGHJLWZAYNE-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.03
Rot. Bonds6

About N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide

N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 108563028) has the molecular formula C17H23F3N2O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID108563028
Molecular FormulaC17H23F3N2O3S
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC NameN-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O3S/c1-2-3-12-26(24,25)22-10-8-15(9-11-22)21-16(23)13-4-6-14(7-5-13)17(18,19)20/h4-7,15H,2-3,8-12H2,1H3,(H,21,23)
InChIKeyQTNWGHJLWZAYNE-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108560437
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
CID 108561153
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
4-(5-methylpyrazol-1-yl)-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46455876
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
N-[(3R,4S)-4-phenyl-1-propylsulfonylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 86298077
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-(1-propylsulfonylpiperidin-4-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540688
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46456125

Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide (CID 108563028) is N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide is CCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is QTNWGHJLWZAYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3S/c1-2-3-12-26(24,25)22-10-8-15(9-11-22)21-16(23)13-4-6-14(7-5-13)17(18,19)20/h4-7,15H,2-3,8-12H2,1H3,(H,21,23).
What are the key properties of N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide?
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 392.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108563028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).