4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide

C18H21F4N3O3S — CID 90615000

IUPAC4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1F
InChIInChI=1S/C18H21F4N3O3S/c1-2-28-16-8-7-12(11-14(16)19)29(26,27)23-9-10-25-15-6-4-3-5-13(15)17(24-25)18(20,21)22/h7-8,11,23H,2-6,9-10H2,1H3
InChIKeyQMJDYTFDTFJVFX-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.30
Rot. Bonds7

About 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 90615000) has the molecular formula C18H21F4N3O3S and a molecular weight of 435.44 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide
PubChem CID90615000
Molecular FormulaC18H21F4N3O3S
Molecular Weight435.44 g/mol
Exact Mass435.12
IUPAC Name4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1F
InChIInChI=1S/C18H21F4N3O3S/c1-2-28-16-8-7-12(11-14(16)19)29(26,27)23-9-10-25-15-6-4-3-5-13(15)17(24-25)18(20,21)22/h7-8,11,23H,2-6,9-10H2,1H3
InChIKeyQMJDYTFDTFJVFX-UHFFFAOYSA-N
XLogP3.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide 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-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90615713
4-ethoxy-3-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613985
4-ethoxy-3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzenesulfonamide
CID 122277709
4-ethoxy-3-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42268240
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 121139706
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
N-[4-(butylsulfamoyl)phenyl]-3-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzamide
CID 67204854
2,4-dimethyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90615685
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 42388899
2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90615714
3-nitro-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90615719
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 72718569

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide (CID 90615000) is 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is QMJDYTFDTFJVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4N3O3S/c1-2-28-16-8-7-12(11-14(16)19)29(26,27)23-9-10-25-15-6-4-3-5-13(15)17(24-25)18(20,21)22/h7-8,11,23H,2-6,9-10H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 435.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90615000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).