4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

C15H21ClF3N3O3S — CID 120725183

IUPAC4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1.Cl
InChIInChI=1S/C15H20F3N3O3S.ClH/c1-10-8-19-7-6-13(10)21-25(23,24)12-4-2-11(3-5-12)14(22)20-9-15(16,17)18;/h2-5,10,13,19,21H,6-9H2,1H3,(H,20,22);1H
InChIKeyAVIQCSBABUEJBT-UHFFFAOYSA-N
MW415.87 g/mol
LogP1.68
Rot. Bonds5

About 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (PubChem CID 120725183) has the molecular formula C15H21ClF3N3O3S and a molecular weight of 415.87 g/mol. Its IUPAC name is 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
PubChem CID120725183
Molecular FormulaC15H21ClF3N3O3S
Molecular Weight415.87 g/mol
Exact Mass415.09
IUPAC Name4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCC1CNCCC1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1.Cl
InChIInChI=1S/C15H20F3N3O3S.ClH/c1-10-8-19-7-6-13(10)21-25(23,24)12-4-2-11(3-5-12)14(22)20-9-15(16,17)18;/h2-5,10,13,19,21H,6-9H2,1H3,(H,20,22);1H
InChIKeyAVIQCSBABUEJBT-UHFFFAOYSA-N
XLogP1.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
CID 120724923
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119979610
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78808928
4-(2-methylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119970062
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8817212
methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120723104
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
N-[(3S,4S)-3-methylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 124516977

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The IUPAC name of 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (CID 120725183) is 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is CC1CNCCC1NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1.Cl.
What is the InChIKey of 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The InChIKey is AVIQCSBABUEJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S.ClH/c1-10-8-19-7-6-13(10)21-25(23,24)12-4-2-11(3-5-12)14(22)20-9-15(16,17)18;/h2-5,10,13,19,21H,6-9H2,1H3,(H,20,22);1H.
What are the key properties of 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride has a molecular weight of 415.87 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is sourced from PubChem (CID 120725183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).