N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide

C21H15F4N3O2S — CID 68812581

IUPACN-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H15F4N3O2S/c22-16-7-9-17(10-8-16)28-19-11-6-14(12-15(19)13-26-28)20(21(23,24)25)27-31(29,30)18-4-2-1-3-5-18/h1-13,20,27H
InChIKeyXZTFDSUWDJAADO-UHFFFAOYSA-N
MW449.43 g/mol
LogP4.75
Rot. Bonds5

About N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide

N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 68812581) has the molecular formula C21H15F4N3O2S and a molecular weight of 449.43 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide
PubChem CID68812581
Molecular FormulaC21H15F4N3O2S
Molecular Weight449.43 g/mol
Exact Mass449.08
IUPAC NameN-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H15F4N3O2S/c22-16-7-9-17(10-8-16)28-19-11-6-14(12-15(19)13-26-28)20(21(23,24)25)27-31(29,30)18-4-2-1-3-5-18/h1-13,20,27H
InChIKeyXZTFDSUWDJAADO-UHFFFAOYSA-N
XLogP4.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide (CID 68812581) is N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide is O=S(=O)(NC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is XZTFDSUWDJAADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O2S/c22-16-7-9-17(10-8-16)28-19-11-6-14(12-15(19)13-26-28)20(21(23,24)25)27-31(29,30)18-4-2-1-3-5-18/h1-13,20,27H.
What are the key properties of N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide?
N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 449.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 68812581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).