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

C27H19F4N3O2S — CID 46832511

IUPAC4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C27H19F4N3O2S/c1-33(21-5-3-2-4-6-21)37(35,36)23-12-13-24(25(16-23)27(29,30)31)18-7-14-26-19(15-18)17-32-34(26)22-10-8-20(28)9-11-22/h2-17H,1H3
InChIKeyNSEYQHXUJJGSKW-UHFFFAOYSA-N
MW525.53 g/mol
LogP6.68
Rot. Bonds5

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

4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46832511) has the molecular formula C27H19F4N3O2S and a molecular weight of 525.53 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46832511
Molecular FormulaC27H19F4N3O2S
Molecular Weight525.53 g/mol
Exact Mass525.11
IUPAC Name4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C27H19F4N3O2S/c1-33(21-5-3-2-4-6-21)37(35,36)23-12-13-24(25(16-23)27(29,30)31)18-7-14-26-19(15-18)17-32-34(26)22-10-8-20(28)9-11-22/h2-17H,1H3
InChIKeyNSEYQHXUJJGSKW-UHFFFAOYSA-N
XLogP6.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.53
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide (CID 46832511) is 4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide is CN(c1ccccc1)S(=O)(=O)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-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NSEYQHXUJJGSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F4N3O2S/c1-33(21-5-3-2-4-6-21)37(35,36)23-12-13-24(25(16-23)27(29,30)31)18-7-14-26-19(15-18)17-32-34(26)22-10-8-20(28)9-11-22/h2-17H,1H3.
What are the key properties of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide?
4-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 525.53 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 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-methyl-N-phenyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46832511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).