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

C18H15FN2O5S2 — CID 42646502

IUPAC5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H15FN2O5S2/c19-15-7-8-16(18(12-15)28(20,24)25)21-27(22,23)11-9-13-3-5-14(6-4-13)17-2-1-10-26-17/h1-12,21H,(H2,20,24,25)/b11-9+
InChIKeySDYMTGFQIZOEHK-PKNBQFBNSA-N
MW422.46 g/mol
LogP3.15
Rot. Bonds6

About 5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide

5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42646502) has the molecular formula C18H15FN2O5S2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
PubChem CID42646502
Molecular FormulaC18H15FN2O5S2
Molecular Weight422.46 g/mol
Exact Mass422.04
IUPAC Name5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H15FN2O5S2/c19-15-7-8-16(18(12-15)28(20,24)25)21-27(22,23)11-9-13-3-5-14(6-4-13)17-2-1-10-26-17/h1-12,21H,(H2,20,24,25)/b11-9+
InChIKeySDYMTGFQIZOEHK-PKNBQFBNSA-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide (CID 42646502) is 5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide is NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1.
What is the InChIKey of 5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is SDYMTGFQIZOEHK-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H15FN2O5S2/c19-15-7-8-16(18(12-15)28(20,24)25)21-27(22,23)11-9-13-3-5-14(6-4-13)17-2-1-10-26-17/h1-12,21H,(H2,20,24,25)/b11-9+.
What are the key properties of 5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
5-fluoro-2-[[(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 5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42646502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).