3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide

C15H9Cl2F3N2O2S — CID 59276816

IUPAC3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]cc(C(F)(F)F)c2c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H9Cl2F3N2O2S/c16-8-3-9(17)5-11(4-8)25(23,24)22-10-1-2-14-12(6-10)13(7-21-14)15(18,19)20/h1-7,21-22H
InChIKeyLFPIBMJUACWAKT-UHFFFAOYSA-N
MW409.22 g/mol
LogP5.29
Rot. Bonds3

About 3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide

3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide (PubChem CID 59276816) has the molecular formula C15H9Cl2F3N2O2S and a molecular weight of 409.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide
PubChem CID59276816
Molecular FormulaC15H9Cl2F3N2O2S
Molecular Weight409.22 g/mol
Exact Mass407.97
IUPAC Name3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]cc(C(F)(F)F)c2c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H9Cl2F3N2O2S/c16-8-3-9(17)5-11(4-8)25(23,24)22-10-1-2-14-12(6-10)13(7-21-14)15(18,19)20/h1-7,21-22H
InChIKeyLFPIBMJUACWAKT-UHFFFAOYSA-N
XLogP5.29
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.22
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide (CID 59276816) is 3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2[nH]cc(C(F)(F)F)c2c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide?
The InChIKey is LFPIBMJUACWAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O2S/c16-8-3-9(17)5-11(4-8)25(23,24)22-10-1-2-14-12(6-10)13(7-21-14)15(18,19)20/h1-7,21-22H.
What are the key properties of 3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide?
3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide has a molecular weight of 409.22 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(trifluoromethyl)-1H-indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 59276816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).