2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide

C15H16F3N3O2S — CID 59532263

IUPAC2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
SMILESCc1cc(-n2nc(C(F)(F)F)c3c2CCCC3)ccc1S(N)(=O)=O
InChIInChI=1S/C15H16F3N3O2S/c1-9-8-10(6-7-13(9)24(19,22)23)21-12-5-3-2-4-11(12)14(20-21)15(16,17)18/h6-8H,2-5H2,1H3,(H2,19,22,23)
InChIKeyXYASARDVHUCPLL-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.73
Rot. Bonds2

About 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide

2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide (PubChem CID 59532263) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
PubChem CID59532263
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Name2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide
SMILESCc1cc(-n2nc(C(F)(F)F)c3c2CCCC3)ccc1S(N)(=O)=O
InChIInChI=1S/C15H16F3N3O2S/c1-9-8-10(6-7-13(9)24(19,22)23)21-12-5-3-2-4-11(12)14(20-21)15(16,17)18/h6-8H,2-5H2,1H3,(H2,19,22,23)
InChIKeyXYASARDVHUCPLL-UHFFFAOYSA-N
XLogP2.73
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide 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 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide (CID 59532263) is 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide is Cc1cc(-n2nc(C(F)(F)F)c3c2CCCC3)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
The InChIKey is XYASARDVHUCPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c1-9-8-10(6-7-13(9)24(19,22)23)21-12-5-3-2-4-11(12)14(20-21)15(16,17)18/h6-8H,2-5H2,1H3,(H2,19,22,23).
What are the key properties of 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide?
2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 59532263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).