4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C15H20F3N3O3S — CID 78808928

IUPAC4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN1CCC(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3N3O3S/c1-21-8-6-12(7-9-21)20-25(23,24)13-4-2-11(3-5-13)14(22)19-10-15(16,17)18/h2-5,12,20H,6-10H2,1H3,(H,19,22)
InChIKeyUGBJPLMMXXVTLM-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.35
Rot. Bonds5

About 4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78808928) has the molecular formula C15H20F3N3O3S and a molecular weight of 379.40 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78808928
Molecular FormulaC15H20F3N3O3S
Molecular Weight379.40 g/mol
Exact Mass379.12
IUPAC Name4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN1CCC(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3N3O3S/c1-21-8-6-12(7-9-21)20-25(23,24)13-4-2-11(3-5-13)14(22)19-10-15(16,17)18/h2-5,12,20H,6-10H2,1H3,(H,19,22)
InChIKeyUGBJPLMMXXVTLM-UHFFFAOYSA-N
XLogP1.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8844139
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 120725183
N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide
CID 55353239
4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-(cyclopropylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 119447342
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119975015

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 78808928) is 4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is CN1CCC(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is UGBJPLMMXXVTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S/c1-21-8-6-12(7-9-21)20-25(23,24)13-4-2-11(3-5-13)14(22)19-10-15(16,17)18/h2-5,12,20H,6-10H2,1H3,(H,19,22).
What are the key properties of 4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 379.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78808928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).