4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide

C17H12F3N3O3S — CID 15345555

IUPAC4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccccc2OC3)cc1
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25)
InChIKeyARDUNDMCGGZTSG-UHFFFAOYSA-N
MW395.36 g/mol
LogP3.10
Rot. Bonds2

About 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide

4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide (PubChem CID 15345555) has the molecular formula C17H12F3N3O3S and a molecular weight of 395.36 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide
PubChem CID15345555
Molecular FormulaC17H12F3N3O3S
Molecular Weight395.36 g/mol
Exact Mass395.06
IUPAC Name4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccccc2OC3)cc1
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25)
InChIKeyARDUNDMCGGZTSG-UHFFFAOYSA-N
XLogP3.10
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-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 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide (CID 15345555) is 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccccc2OC3)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is ARDUNDMCGGZTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S/c18-17(19,20)16-13-9-26-14-4-2-1-3-12(14)15(13)23(22-16)10-5-7-11(8-6-10)27(21,24)25/h1-8H,9H2,(H2,21,24,25).
What are the key properties of 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide?
4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 395.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-4H-chromeno[3,4-d]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 15345555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).