4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide

C24H21F4N3O2S — CID 46831699

IUPAC4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C24H21F4N3O2S/c1-15(2)13-30-34(32,33)20-8-9-21(22(12-20)24(26,27)28)16-3-10-23-17(11-16)14-29-31(23)19-6-4-18(25)5-7-19/h3-12,14-15,30H,13H2,1-2H3
InChIKeyGHRAAOQUALWOAH-UHFFFAOYSA-N
MW491.51 g/mol
LogP5.78
Rot. Bonds6

About 4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide

4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46831699) has the molecular formula C24H21F4N3O2S and a molecular weight of 491.51 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46831699
Molecular FormulaC24H21F4N3O2S
Molecular Weight491.51 g/mol
Exact Mass491.13
IUPAC Name4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C24H21F4N3O2S/c1-15(2)13-30-34(32,33)20-8-9-21(22(12-20)24(26,27)28)16-3-10-23-17(11-16)14-29-31(23)19-6-4-18(25)5-7-19/h3-12,14-15,30H,13H2,1-2H3
InChIKeyGHRAAOQUALWOAH-UHFFFAOYSA-N
XLogP5.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.51
LogP ≤ 55.78
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-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CID 46831699) is 4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide is CC(C)CNS(=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-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GHRAAOQUALWOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O2S/c1-15(2)13-30-34(32,33)20-8-9-21(22(12-20)24(26,27)28)16-3-10-23-17(11-16)14-29-31(23)19-6-4-18(25)5-7-19/h3-12,14-15,30H,13H2,1-2H3.
What are the key properties of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
4-[1-(4-fluorophenyl)indazol-5-yl]-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 491.51 g/mol, XLogP of 5.78, 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-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46831699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).