N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide

C26H19FN2O4S — CID 58975214

IUPACN-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C26H19FN2O4S/c27-20-11-7-18(8-12-20)16-28-26(30)19-9-13-21(14-10-19)34(31,32)29-17-23(25-6-3-15-33-25)22-4-1-2-5-24(22)29/h1-15,17H,16H2,(H,28,30)
InChIKeyYIAICUYZFYDFDN-UHFFFAOYSA-N
MW474.51 g/mol
LogP5.21
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide

N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide (PubChem CID 58975214) has the molecular formula C26H19FN2O4S and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide
PubChem CID58975214
Molecular FormulaC26H19FN2O4S
Molecular Weight474.51 g/mol
Exact Mass474.10
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C26H19FN2O4S/c27-20-11-7-18(8-12-20)16-28-26(30)19-9-13-21(14-10-19)34(31,32)29-17-23(25-6-3-15-33-25)22-4-1-2-5-24(22)29/h1-15,17H,16H2,(H,28,30)
InChIKeyYIAICUYZFYDFDN-UHFFFAOYSA-N
XLogP5.21
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide (CID 58975214) is N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide is O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ccco3)c3ccccc32)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide?
The InChIKey is YIAICUYZFYDFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O4S/c27-20-11-7-18(8-12-20)16-28-26(30)19-9-13-21(14-10-19)34(31,32)29-17-23(25-6-3-15-33-25)22-4-1-2-5-24(22)29/h1-15,17H,16H2,(H,28,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide?
N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide has a molecular weight of 474.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[3-(furan-2-yl)indol-1-yl]sulfonylbenzamide is sourced from PubChem (CID 58975214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).