2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide

C18H15FN2O5S2 — CID 42646503

IUPAC2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H15FN2O5S2/c19-15-3-1-4-16(18(15)28(20,24)25)21-27(22,23)12-10-13-6-8-14(9-7-13)17-5-2-11-26-17/h1-12,21H,(H2,20,24,25)/b12-10+
InChIKeyKDOXJJPEZQAITK-ZRDIBKRKSA-N
MW422.46 g/mol
LogP3.15
Rot. Bonds6

About 2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide

2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42646503) has the molecular formula C18H15FN2O5S2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
PubChem CID42646503
Molecular FormulaC18H15FN2O5S2
Molecular Weight422.46 g/mol
Exact Mass422.04
IUPAC Name2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H15FN2O5S2/c19-15-3-1-4-16(18(15)28(20,24)25)21-27(22,23)12-10-13-6-8-14(9-7-13)17-5-2-11-26-17/h1-12,21H,(H2,20,24,25)/b12-10+
InChIKeyKDOXJJPEZQAITK-ZRDIBKRKSA-N
XLogP3.15
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
CID 42645306
2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-4-fluorobenzenesulfonamide
CID 42645307
2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
CID 42645308
2-[2-[4-(2-Furyl)phenyl]ethylsulfonylamino]benzenesulfonamide
CID 42645776
2-[[(E)-2-[4-(2-Furyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
CID 42645778
4-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
CID 42646261
5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
CID 42646502
2-[2-[4-(1-Benzofuran-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide
CID 57750941
2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
CID 57750952
US9663460, Example 192
CID 67972537
US9663460, Example 190
CID 67972761
N-[2-(furan-2-yl)phenyl]-4-methoxybenzenesulfonamide
CID 122184585

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide (CID 42646503) is 2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide is NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1.
What is the InChIKey of 2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is KDOXJJPEZQAITK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H15FN2O5S2/c19-15-3-1-4-16(18(15)28(20,24)25)21-27(22,23)12-10-13-6-8-14(9-7-13)17-5-2-11-26-17/h1-12,21H,(H2,20,24,25)/b12-10+.
What are the key properties of 2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 422.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42646503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).