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

C23H19F4N3O2S — CID 46831957

IUPACN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C23H19F4N3O2S/c1-2-11-33(31,32)29-18-6-9-20(21(13-18)23(25,26)27)15-3-10-22-16(12-15)14-28-30(22)19-7-4-17(24)5-8-19/h3-10,12-14,29H,2,11H2,1H3
InChIKeyOOBVFAPEUYZCPP-UHFFFAOYSA-N
MW477.48 g/mol
LogP6.00
Rot. Bonds6

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

N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide (PubChem CID 46831957) has the molecular formula C23H19F4N3O2S and a molecular weight of 477.48 g/mol. Its IUPAC name is N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
PubChem CID46831957
Molecular FormulaC23H19F4N3O2S
Molecular Weight477.48 g/mol
Exact Mass477.11
IUPAC NameN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C23H19F4N3O2S/c1-2-11-33(31,32)29-18-6-9-20(21(13-18)23(25,26)27)15-3-10-22-16(12-15)14-28-30(22)19-7-4-17(24)5-8-19/h3-10,12-14,29H,2,11H2,1H3
InChIKeyOOBVFAPEUYZCPP-UHFFFAOYSA-N
XLogP6.00
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 ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide (CID 46831957) is N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The InChIKey is OOBVFAPEUYZCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O2S/c1-2-11-33(31,32)29-18-6-9-20(21(13-18)23(25,26)27)15-3-10-22-16(12-15)14-28-30(22)19-7-4-17(24)5-8-19/h3-10,12-14,29H,2,11H2,1H3.
What are the key properties of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide has a molecular weight of 477.48 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 46831957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).