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

C22H17F4N3O2S — CID 46831696

IUPACN-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C22H17F4N3O2S/c1-2-28-32(30,31)18-8-9-19(20(12-18)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)17-6-4-16(23)5-7-17/h3-13,28H,2H2,1H3
InChIKeyWAKOIDMSJVVKKI-UHFFFAOYSA-N
MW463.46 g/mol
LogP5.15
Rot. Bonds5

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

N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46831696) has the molecular formula C22H17F4N3O2S and a molecular weight of 463.46 g/mol. Its IUPAC name is N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46831696
Molecular FormulaC22H17F4N3O2S
Molecular Weight463.46 g/mol
Exact Mass463.10
IUPAC NameN-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C22H17F4N3O2S/c1-2-28-32(30,31)18-8-9-19(20(12-18)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)17-6-4-16(23)5-7-17/h3-13,28H,2H2,1H3
InChIKeyWAKOIDMSJVVKKI-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
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-[2-[1-(4-Fluorophenyl)indazol-4-yl]sulfanyl-1-methylethyl]-2,4,6-trimethyl-benzenesulfonamide
CID 16665605
N-[1-[1-(4-fluorophenyl)indazol-4-yl]sulfonylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16665606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 46831696) is N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WAKOIDMSJVVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O2S/c1-2-28-32(30,31)18-8-9-19(20(12-18)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)17-6-4-16(23)5-7-17/h3-13,28H,2H2,1H3.
What are the key properties of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 463.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46831696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).