1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid

C21H13F2NO4S — CID 146604840

IUPAC1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)cc(-c1ccccc1)n2S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C21H13F2NO4S/c22-16-10-17(23)12-18(11-16)29(27,28)24-19-7-6-14(21(25)26)8-15(19)9-20(24)13-4-2-1-3-5-13/h1-12H,(H,25,26)
InChIKeyRIKOGULSXSNDLY-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.52
Rot. Bonds4

About 1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid

1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid (PubChem CID 146604840) has the molecular formula C21H13F2NO4S and a molecular weight of 413.40 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid
PubChem CID146604840
Molecular FormulaC21H13F2NO4S
Molecular Weight413.40 g/mol
Exact Mass413.05
IUPAC Name1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)cc(-c1ccccc1)n2S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C21H13F2NO4S/c22-16-10-17(23)12-18(11-16)29(27,28)24-19-7-6-14(21(25)26)8-15(19)9-20(24)13-4-2-1-3-5-13/h1-12H,(H,25,26)
InChIKeyRIKOGULSXSNDLY-UHFFFAOYSA-N
XLogP4.52
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid?
The IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid (CID 146604840) is 1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid.
What is the SMILES notation for 1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid?
The canonical SMILES for 1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)cc(-c1ccccc1)n2S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid?
The InChIKey is RIKOGULSXSNDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2NO4S/c22-16-10-17(23)12-18(11-16)29(27,28)24-19-7-6-14(21(25)26)8-15(19)9-20(24)13-4-2-1-3-5-13/h1-12H,(H,25,26).
What are the key properties of 1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid?
1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid has a molecular weight of 413.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid is sourced from PubChem (CID 146604840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).