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

C28H21F4N3O2S — CID 46832233

IUPACN-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C28H21F4N3O2S/c1-2-34(22-6-4-3-5-7-22)38(36,37)24-13-14-25(26(17-24)28(30,31)32)19-8-15-27-20(16-19)18-33-35(27)23-11-9-21(29)10-12-23/h3-18H,2H2,1H3
InChIKeyUGEICSSTWXHBRN-UHFFFAOYSA-N
MW539.55 g/mol
LogP7.07
Rot. Bonds6

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

N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46832233) has the molecular formula C28H21F4N3O2S and a molecular weight of 539.55 g/mol. Its IUPAC name is N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46832233
Molecular FormulaC28H21F4N3O2S
Molecular Weight539.55 g/mol
Exact Mass539.13
IUPAC NameN-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C28H21F4N3O2S/c1-2-34(22-6-4-3-5-7-22)38(36,37)24-13-14-25(26(17-24)28(30,31)32)19-8-15-27-20(16-19)18-33-35(27)23-11-9-21(29)10-12-23/h3-18H,2H2,1H3
InChIKeyUGEICSSTWXHBRN-UHFFFAOYSA-N
XLogP7.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.55
LogP ≤ 57.07
H-Bond Donors ≤ 50
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
(4aS)-4a-benzyl-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11541310
N-[(2S)-4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16665608
(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454504
1-(4-Fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454535

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide (CID 46832233) is N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide is CCN(c1ccccc1)S(=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]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UGEICSSTWXHBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F4N3O2S/c1-2-34(22-6-4-3-5-7-22)38(36,37)24-13-14-25(26(17-24)28(30,31)32)19-8-15-27-20(16-19)18-33-35(27)23-11-9-21(29)10-12-23/h3-18H,2H2,1H3.
What are the key properties of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 539.55 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 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]-N-phenyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46832233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).