2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide

C22H17FN2O5S2 — CID 42645308

IUPAC2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H17FN2O5S2/c23-18-5-3-6-19(22(18)32(24,28)29)25-31(26,27)13-12-15-8-10-16(11-9-15)21-14-17-4-1-2-7-20(17)30-21/h1-14,25H,(H2,24,28,29)/b13-12+
InChIKeyVJTALGROLDPLIQ-OUKQBFOZSA-N
MW472.52 g/mol
LogP4.30
Rot. Bonds6

About 2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide

2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide (PubChem CID 42645308) has the molecular formula C22H17FN2O5S2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
PubChem CID42645308
Molecular FormulaC22H17FN2O5S2
Molecular Weight472.52 g/mol
Exact Mass472.06
IUPAC Name2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H17FN2O5S2/c23-18-5-3-6-19(22(18)32(24,28)29)25-31(26,27)13-12-15-8-10-16(11-9-15)21-14-17-4-1-2-7-20(17)30-21/h1-14,25H,(H2,24,28,29)/b13-12+
InChIKeyVJTALGROLDPLIQ-OUKQBFOZSA-N
XLogP4.30
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrafluoro-2-methylbenzo[b]furan-3-sulfonamide
CID 2739954
3-[4-(Dibenzofuran-1-sulfonylamino)-phenyl]-N-hydroxy-acrylamide
CID 44380172
(E)-3-[4-(dibenzofuran-2-ylsulfonylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11069560
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-[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-fluoro-6-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
CID 42646503
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
The IUPAC name of 2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide (CID 42645308) is 2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide is NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
The InChIKey is VJTALGROLDPLIQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H17FN2O5S2/c23-18-5-3-6-19(22(18)32(24,28)29)25-31(26,27)13-12-15-8-10-16(11-9-15)21-14-17-4-1-2-7-20(17)30-21/h1-14,25H,(H2,24,28,29)/b13-12+.
What are the key properties of 2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide?
2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide has a molecular weight of 472.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-[4-(1-benzofuran-2-yl)phenyl]ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide is sourced from PubChem (CID 42645308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).