N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide

C22H17F4N3O2S — CID 46831700

IUPACN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C22H17F4N3O2S/c1-2-32(30,31)28-17-6-9-19(20(12-17)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)18-7-4-16(23)5-8-18/h3-13,28H,2H2,1H3
InChIKeyLQOZKKGNPUNQFL-UHFFFAOYSA-N
MW463.46 g/mol
LogP5.61
Rot. Bonds5

About N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide

N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 46831700) has the molecular formula C22H17F4N3O2S and a molecular weight of 463.46 g/mol. Its IUPAC name is N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID46831700
Molecular FormulaC22H17F4N3O2S
Molecular Weight463.46 g/mol
Exact Mass463.10
IUPAC NameN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C22H17F4N3O2S/c1-2-32(30,31)28-17-6-9-19(20(12-17)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)18-7-4-16(23)5-8-18/h3-13,28H,2H2,1H3
InChIKeyLQOZKKGNPUNQFL-UHFFFAOYSA-N
XLogP5.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(4-Fluorophenyl)-1H-indazol-5-yl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 24882669
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]methanesulfonamide
CID 24936311
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936314
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936449
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73349253
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]methanesulfonamide
CID 73352322
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73355320
N-[(2S)-4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16665608
N-[(2S)-1-[[1-(4-fluoro-3-methylphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 57690907
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propane-1-sulfonamide
CID 59251055
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]cyclopropanesulfonamide
CID 59251186
1-(4-Fluorophenyl)-5-[2-(trifluoromethyl)phenyl]indazole
CID 46830504

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide (CID 46831700) is N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is LQOZKKGNPUNQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O2S/c1-2-32(30,31)28-17-6-9-19(20(12-17)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)18-7-4-16(23)5-8-18/h3-13,28H,2H2,1H3.
What are the key properties of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide?
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 463.46 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 46831700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).