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

C29H23F4N3O2S — CID 46832234

IUPAC4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C29H23F4N3O2S/c1-2-16-35(23-6-4-3-5-7-23)39(37,38)25-13-14-26(27(18-25)29(31,32)33)20-8-15-28-21(17-20)19-34-36(28)24-11-9-22(30)10-12-24/h3-15,17-19H,2,16H2,1H3
InChIKeyJWWJEENUMHZSBN-UHFFFAOYSA-N
MW553.58 g/mol
LogP7.46
Rot. Bonds7

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

4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46832234) has the molecular formula C29H23F4N3O2S and a molecular weight of 553.58 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46832234
Molecular FormulaC29H23F4N3O2S
Molecular Weight553.58 g/mol
Exact Mass553.14
IUPAC Name4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C29H23F4N3O2S/c1-2-16-35(23-6-4-3-5-7-23)39(37,38)25-13-14-26(27(18-25)29(31,32)33)20-8-15-28-21(17-20)19-34-36(28)24-11-9-22(30)10-12-24/h3-15,17-19H,2,16H2,1H3
InChIKeyJWWJEENUMHZSBN-UHFFFAOYSA-N
XLogP7.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.58
LogP ≤ 57.46
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-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide (CID 46832234) is 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide is CCCN(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-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JWWJEENUMHZSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F4N3O2S/c1-2-16-35(23-6-4-3-5-7-23)39(37,38)25-13-14-26(27(18-25)29(31,32)33)20-8-15-28-21(17-20)19-34-36(28)24-11-9-22(30)10-12-24/h3-15,17-19H,2,16H2,1H3.
What are the key properties of 4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
4-[1-(4-fluorophenyl)indazol-5-yl]-N-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 553.58 g/mol, XLogP of 7.46, 7 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-phenyl-N-propyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46832234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).