N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C23H20F3N3O2S — CID 130192963

IUPACN-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(Cn2ncc3ccccc32)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O2S/c1-2-29(32(30,31)21-11-6-9-19(14-21)23(24,25)26)20-10-5-7-17(13-20)16-28-22-12-4-3-8-18(22)15-27-28/h3-15H,2,16H2,1H3
InChIKeyQXXNUSKKDYGLKG-UHFFFAOYSA-N
MW459.49 g/mol
LogP5.32
Rot. Bonds6

About N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 130192963) has the molecular formula C23H20F3N3O2S and a molecular weight of 459.49 g/mol. Its IUPAC name is N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID130192963
Molecular FormulaC23H20F3N3O2S
Molecular Weight459.49 g/mol
Exact Mass459.12
IUPAC NameN-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(Cn2ncc3ccccc32)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O2S/c1-2-29(32(30,31)21-11-6-9-19(14-21)23(24,25)26)20-10-5-7-17(13-20)16-28-22-12-4-3-8-18(22)15-27-28/h3-15H,2,16H2,1H3
InChIKeyQXXNUSKKDYGLKG-UHFFFAOYSA-N
XLogP5.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.49
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 130192963) is N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is CCN(c1cccc(Cn2ncc3ccccc32)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QXXNUSKKDYGLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2S/c1-2-29(32(30,31)21-11-6-9-19(14-21)23(24,25)26)20-10-5-7-17(13-20)16-28-22-12-4-3-8-18(22)15-27-28/h3-15H,2,16H2,1H3.
What are the key properties of N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 459.49 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(indazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 130192963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).