1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide

C25H23F3N2O6S3 — CID 58862165

IUPAC1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide
SMILESCC(C)(NS(=O)(=O)C(C)(F)F)c1ccc(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C25H23F3N2O6S3/c1-24(2,29-39(35,36)25(3,27)28)18-12-14-19(15-13-18)37(31,32)23-16-17-8-4-6-10-21(17)30(23)38(33,34)22-11-7-5-9-20(22)26/h4-16,29H,1-3H3
InChIKeyLFKBHMPMFUUMOM-UHFFFAOYSA-N
MW600.66 g/mol
LogP4.62
Rot. Bonds8

About 1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide

1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide (PubChem CID 58862165) has the molecular formula C25H23F3N2O6S3 and a molecular weight of 600.66 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide
PubChem CID58862165
Molecular FormulaC25H23F3N2O6S3
Molecular Weight600.66 g/mol
Exact Mass600.07
IUPAC Name1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide
SMILESCC(C)(NS(=O)(=O)C(C)(F)F)c1ccc(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C25H23F3N2O6S3/c1-24(2,29-39(35,36)25(3,27)28)18-12-14-19(15-13-18)37(31,32)23-16-17-8-4-6-10-21(17)30(23)38(33,34)22-11-7-5-9-20(22)26/h4-16,29H,1-3H3
InChIKeyLFKBHMPMFUUMOM-UHFFFAOYSA-N
XLogP4.62
TPSA119.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.66
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide (CID 58862165) is 1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide is CC(C)(NS(=O)(=O)C(C)(F)F)c1ccc(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide?
The InChIKey is LFKBHMPMFUUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O6S3/c1-24(2,29-39(35,36)25(3,27)28)18-12-14-19(15-13-18)37(31,32)23-16-17-8-4-6-10-21(17)30(23)38(33,34)22-11-7-5-9-20(22)26/h4-16,29H,1-3H3.
What are the key properties of 1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide?
1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide has a molecular weight of 600.66 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-[4-[1-(2-fluorophenyl)sulfonylindol-2-yl]sulfonylphenyl]propan-2-yl]ethanesulfonamide is sourced from PubChem (CID 58862165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).