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

C26H17F4N3O2S — CID 46831958

IUPACN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C26H17F4N3O2S/c27-19-7-10-21(11-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-9-20(15-24(23)26(28,29)30)32-36(34,35)22-4-2-1-3-5-22/h1-16,32H
InChIKeyVJOBZFNFYPDFML-UHFFFAOYSA-N
MW511.50 g/mol
LogP6.65
Rot. Bonds5

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

N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 46831958) has the molecular formula C26H17F4N3O2S and a molecular weight of 511.50 g/mol. Its IUPAC name is N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID46831958
Molecular FormulaC26H17F4N3O2S
Molecular Weight511.50 g/mol
Exact Mass511.10
IUPAC NameN-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C26H17F4N3O2S/c27-19-7-10-21(11-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-9-20(15-24(23)26(28,29)30)32-36(34,35)22-4-2-1-3-5-22/h1-16,32H
InChIKeyVJOBZFNFYPDFML-UHFFFAOYSA-N
XLogP6.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.50
LogP ≤ 56.65
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]benzenesulfonamide?
The IUPAC name of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 46831958) is N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is VJOBZFNFYPDFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N3O2S/c27-19-7-10-21(11-8-19)33-25-13-6-17(14-18(25)16-31-33)23-12-9-20(15-24(23)26(28,29)30)32-36(34,35)22-4-2-1-3-5-22/h1-16,32H.
What are the key properties of N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 511.50 g/mol, XLogP of 6.65, 5 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]benzenesulfonamide is sourced from PubChem (CID 46831958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).