4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide

C19H23F3N4O3S — CID 72718582

IUPAC4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C19H23F3N4O3S/c1-25(2)30(28,29)14-9-7-13(8-10-14)18(27)23-11-12-26-16-6-4-3-5-15(16)17(24-26)19(20,21)22/h7-10H,3-6,11-12H2,1-2H3,(H,23,27)
InChIKeyZHBJLHLVFVZVLP-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.46
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide (PubChem CID 72718582) has the molecular formula C19H23F3N4O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
PubChem CID72718582
Molecular FormulaC19H23F3N4O3S
Molecular Weight444.48 g/mol
Exact Mass444.14
IUPAC Name4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C19H23F3N4O3S/c1-25(2)30(28,29)14-9-7-13(8-10-14)18(27)23-11-12-26-16-6-4-3-5-15(16)17(24-26)19(20,21)22/h7-10H,3-6,11-12H2,1-2H3,(H,23,27)
InChIKeyZHBJLHLVFVZVLP-UHFFFAOYSA-N
XLogP2.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide (CID 72718582) is 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The InChIKey is ZHBJLHLVFVZVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3S/c1-25(2)30(28,29)14-9-7-13(8-10-14)18(27)23-11-12-26-16-6-4-3-5-15(16)17(24-26)19(20,21)22/h7-10H,3-6,11-12H2,1-2H3,(H,23,27).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide has a molecular weight of 444.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 72718582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).