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

C23H19F4N3O2S — CID 46831698

IUPAC4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C23H19F4N3O2S/c1-2-11-29-33(31,32)19-8-9-20(21(13-19)23(25,26)27)15-3-10-22-16(12-15)14-28-30(22)18-6-4-17(24)5-7-18/h3-10,12-14,29H,2,11H2,1H3
InChIKeyRASBRABSHNFWAA-UHFFFAOYSA-N
MW477.48 g/mol
LogP5.54
Rot. Bonds6

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

4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46831698) has the molecular formula C23H19F4N3O2S and a molecular weight of 477.48 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46831698
Molecular FormulaC23H19F4N3O2S
Molecular Weight477.48 g/mol
Exact Mass477.11
IUPAC Name4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C23H19F4N3O2S/c1-2-11-29-33(31,32)19-8-9-20(21(13-19)23(25,26)27)15-3-10-22-16(12-15)14-28-30(22)18-6-4-17(24)5-7-18/h3-10,12-14,29H,2,11H2,1H3
InChIKeyRASBRABSHNFWAA-UHFFFAOYSA-N
XLogP5.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
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-propyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide (CID 46831698) is 4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide is CCCNS(=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-propyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RASBRABSHNFWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O2S/c1-2-11-29-33(31,32)19-8-9-20(21(13-19)23(25,26)27)15-3-10-22-16(12-15)14-28-30(22)18-6-4-17(24)5-7-18/h3-10,12-14,29H,2,11H2,1H3.
What are the key properties of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
4-[1-(4-fluorophenyl)indazol-5-yl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 477.48 g/mol, XLogP of 5.54, 6 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-propyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46831698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).