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

C26H17F4N3O2S — CID 46831956

IUPAC4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C26H17F4N3O2S/c27-19-7-9-21(10-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-11-22(15-24(23)26(28,29)30)36(34,35)32-20-4-2-1-3-5-20/h1-16,32H
InChIKeyKITMBHWKRRKXPH-UHFFFAOYSA-N
MW511.50 g/mol
LogP6.65
Rot. Bonds5

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

4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46831956) has the molecular formula C26H17F4N3O2S and a molecular weight of 511.50 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46831956
Molecular FormulaC26H17F4N3O2S
Molecular Weight511.50 g/mol
Exact Mass511.10
IUPAC Name4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C26H17F4N3O2S/c27-19-7-9-21(10-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-11-22(15-24(23)26(28,29)30)36(34,35)32-20-4-2-1-3-5-20/h1-16,32H
InChIKeyKITMBHWKRRKXPH-UHFFFAOYSA-N
XLogP6.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.50
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2s)-1-[[1-(4-Fluorophenyl)indazol-4-Yl]amino]propan-2-Yl]-2,4,6-Trimethyl-Benzenesulfonamide
CID 16666386
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
2,4,6-trimethyl-N-[(2S)-1-[[1-(4-methylphenyl)indazol-4-yl]amino]propan-2-yl]benzenesulfonamide
CID 16665286
N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]-3-methylbutan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16665533
N-[(2S)-4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16665608
N-[(2S)-1-[[1-(3-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 57690891

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide (CID 46831956) is 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KITMBHWKRRKXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N3O2S/c27-19-7-9-21(10-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-11-22(15-24(23)26(28,29)30)36(34,35)32-20-4-2-1-3-5-20/h1-16,32H.
What are the key properties of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 511.50 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46831956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).