2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide

C24H23FN2O5S — CID 4789237

IUPAC2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c(C)n1Cc1ccco1
InChIInChI=1S/C24H23FN2O5S/c1-17-13-21(18(2)27(17)15-20-8-6-12-32-20)23(28)16-26(14-19-7-5-11-31-19)33(29,30)24-10-4-3-9-22(24)25/h3-13H,14-16H2,1-2H3
InChIKeyLTKQOUZTXIMBEV-UHFFFAOYSA-N
MW470.52 g/mol
LogP4.55
Rot. Bonds9

About 2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide

2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 4789237) has the molecular formula C24H23FN2O5S and a molecular weight of 470.52 g/mol. Its IUPAC name is 2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID4789237
Molecular FormulaC24H23FN2O5S
Molecular Weight470.52 g/mol
Exact Mass470.13
IUPAC Name2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c(C)n1Cc1ccco1
InChIInChI=1S/C24H23FN2O5S/c1-17-13-21(18(2)27(17)15-20-8-6-12-32-20)23(28)16-26(14-19-7-5-11-31-19)33(29,30)24-10-4-3-9-22(24)25/h3-13H,14-16H2,1-2H3
InChIKeyLTKQOUZTXIMBEV-UHFFFAOYSA-N
XLogP4.55
TPSA85.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide (CID 4789237) is 2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide is Cc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c(C)n1Cc1ccco1.
What is the InChIKey of 2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is LTKQOUZTXIMBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S/c1-17-13-21(18(2)27(17)15-20-8-6-12-32-20)23(28)16-26(14-19-7-5-11-31-19)33(29,30)24-10-4-3-9-22(24)25/h3-13H,14-16H2,1-2H3.
What are the key properties of 2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide?
2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 470.52 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(furan-2-ylmethyl)-N-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 4789237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).