4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C18H26F3N3O3S — CID 8844139

IUPAC4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CCN(CCCNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3N3O3S/c1-14-7-11-24(12-8-14)10-2-9-23-28(26,27)16-5-3-15(4-6-16)17(25)22-13-18(19,20)21/h3-6,14,23H,2,7-13H2,1H3,(H,22,25)
InChIKeyXGXMWKOPORQVLC-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.38
Rot. Bonds8

About 4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 8844139) has the molecular formula C18H26F3N3O3S and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID8844139
Molecular FormulaC18H26F3N3O3S
Molecular Weight421.49 g/mol
Exact Mass421.16
IUPAC Name4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CCN(CCCNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3N3O3S/c1-14-7-11-24(12-8-14)10-2-9-23-28(26,27)16-5-3-15(4-6-16)17(25)22-13-18(19,20)21/h3-6,14,23H,2,7-13H2,1H3,(H,22,25)
InChIKeyXGXMWKOPORQVLC-UHFFFAOYSA-N
XLogP2.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119965025
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78808928
4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724828
4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844122
3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 17461365
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 30541364
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-(ethylsulfamoyl)benzamide
CID 55660382
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629431
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
CID 55811483

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 8844139) is 4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is CC1CCN(CCCNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XGXMWKOPORQVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O3S/c1-14-7-11-24(12-8-14)10-2-9-23-28(26,27)16-5-3-15(4-6-16)17(25)22-13-18(19,20)21/h3-6,14,23H,2,7-13H2,1H3,(H,22,25).
What are the key properties of 4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 421.49 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 8844139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).