5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole

C35H21Br2F3N2O4S2 — CID 73353818

IUPAC5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(C(c2ccc(F)cc2)c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Br)cc23)c2cc(Br)ccc21
InChIInChI=1S/C35H21Br2F3N2O4S2/c36-22-3-15-33-29(17-22)31(19-41(33)47(43,44)27-11-7-25(39)8-12-27)35(21-1-5-24(38)6-2-21)32-20-42(34-16-4-23(37)18-30(32)34)48(45,46)28-13-9-26(40)10-14-28/h1-20,35H
InChIKeyNDBCLQQIFXEILS-UHFFFAOYSA-N
MW814.50 g/mol
LogP9.19
Rot. Bonds7

About 5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole

5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole (PubChem CID 73353818) has the molecular formula C35H21Br2F3N2O4S2 and a molecular weight of 814.50 g/mol. Its IUPAC name is 5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole.

Molecular Properties

Compound Name5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole
PubChem CID73353818
Molecular FormulaC35H21Br2F3N2O4S2
Molecular Weight814.50 g/mol
Exact Mass811.93
IUPAC Name5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(C(c2ccc(F)cc2)c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Br)cc23)c2cc(Br)ccc21
InChIInChI=1S/C35H21Br2F3N2O4S2/c36-22-3-15-33-29(17-22)31(19-41(33)47(43,44)27-11-7-25(39)8-12-27)35(21-1-5-24(38)6-2-21)32-20-42(34-16-4-23(37)18-30(32)34)48(45,46)28-13-9-26(40)10-14-28/h1-20,35H
InChIKeyNDBCLQQIFXEILS-UHFFFAOYSA-N
XLogP9.19
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.50
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole?
The IUPAC name of 5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole (CID 73353818) is 5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole.
What is the SMILES notation for 5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole?
The canonical SMILES for 5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole is O=S(=O)(c1ccc(F)cc1)n1cc(C(c2ccc(F)cc2)c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Br)cc23)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole?
The InChIKey is NDBCLQQIFXEILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21Br2F3N2O4S2/c36-22-3-15-33-29(17-22)31(19-41(33)47(43,44)27-11-7-25(39)8-12-27)35(21-1-5-24(38)6-2-21)32-20-42(34-16-4-23(37)18-30(32)34)48(45,46)28-13-9-26(40)10-14-28/h1-20,35H.
What are the key properties of 5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole?
5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole has a molecular weight of 814.50 g/mol, XLogP of 9.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[5-bromo-1-(4-fluorophenyl)sulfonylindol-3-yl]-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylindole is sourced from PubChem (CID 73353818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).