2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide

C21H15F3N2O3S — CID 122190169

IUPAC2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC2)c1c(F)cccc1F
InChIInChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
InChIKeyGSOBXIVEUTZFSC-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.11
Rot. Bonds4

About 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide

2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide (PubChem CID 122190169) has the molecular formula C21H15F3N2O3S and a molecular weight of 432.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide
PubChem CID122190169
Molecular FormulaC21H15F3N2O3S
Molecular Weight432.42 g/mol
Exact Mass432.08
IUPAC Name2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC2)c1c(F)cccc1F
InChIInChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
InChIKeyGSOBXIVEUTZFSC-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide (CID 122190169) is 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide is O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CC2)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide?
The InChIKey is GSOBXIVEUTZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27).
What are the key properties of 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide?
2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide has a molecular weight of 432.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-6-yl]benzamide is sourced from PubChem (CID 122190169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).