[1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone

C21H12ClF3N2O3S — CID 135257019

IUPAC[1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(C(F)(F)F)c1)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H12ClF3N2O3S/c22-15-5-7-16(8-6-15)31(29,30)27-17-4-2-1-3-13(17)11-18(27)20(28)14-9-10-26-19(12-14)21(23,24)25/h1-12H
InChIKeyFZPYJBIXLVVWKL-UHFFFAOYSA-N
MW464.85 g/mol
LogP5.18
Rot. Bonds4

About [1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone

[1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone (PubChem CID 135257019) has the molecular formula C21H12ClF3N2O3S and a molecular weight of 464.85 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
PubChem CID135257019
Molecular FormulaC21H12ClF3N2O3S
Molecular Weight464.85 g/mol
Exact Mass464.02
IUPAC Name[1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(C(F)(F)F)c1)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H12ClF3N2O3S/c22-15-5-7-16(8-6-15)31(29,30)27-17-4-2-1-3-13(17)11-18(27)20(28)14-9-10-26-19(12-14)21(23,24)25/h1-12H
InChIKeyFZPYJBIXLVVWKL-UHFFFAOYSA-N
XLogP5.18
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.85
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone (CID 135257019) is [1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone is O=C(c1ccnc(C(F)(F)F)c1)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone?
The InChIKey is FZPYJBIXLVVWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF3N2O3S/c22-15-5-7-16(8-6-15)31(29,30)27-17-4-2-1-3-13(17)11-18(27)20(28)14-9-10-26-19(12-14)21(23,24)25/h1-12H.
What are the key properties of [1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone?
[1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone has a molecular weight of 464.85 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone is sourced from PubChem (CID 135257019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).