2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide

C18H18N2O5S2 — CID 42645776

IUPAC2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H18N2O5S2/c19-27(23,24)18-6-2-1-4-16(18)20-26(21,22)13-11-14-7-9-15(10-8-14)17-5-3-12-25-17/h1-10,12,20H,11,13H2,(H2,19,23,24)
InChIKeyIKMYIGLPUUEJTB-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide

2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide (PubChem CID 42645776) has the molecular formula C18H18N2O5S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide
PubChem CID42645776
Molecular FormulaC18H18N2O5S2
Molecular Weight406.49 g/mol
Exact Mass406.07
IUPAC Name2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H18N2O5S2/c19-27(23,24)18-6-2-1-4-16(18)20-26(21,22)13-11-14-7-9-15(10-8-14)17-5-3-12-25-17/h1-10,12,20H,11,13H2,(H2,19,23,24)
InChIKeyIKMYIGLPUUEJTB-UHFFFAOYSA-N
XLogP2.58
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.58
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-[[(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
N-[2-(furan-2-yl)phenyl]-4-methoxybenzenesulfonamide
CID 122184585
2-[[3-(1-Benzofuran-2-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 57750892
2-[(3-Dibenzofuran-4-ylphenyl)sulfonylamino]benzenesulfonamide
CID 57750933

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide?
The IUPAC name of 2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide (CID 42645776) is 2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide is NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(-c2ccco2)cc1.
What is the InChIKey of 2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide?
The InChIKey is IKMYIGLPUUEJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S2/c19-27(23,24)18-6-2-1-4-16(18)20-26(21,22)13-11-14-7-9-15(10-8-14)17-5-3-12-25-17/h1-10,12,20H,11,13H2,(H2,19,23,24).
What are the key properties of 2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide?
2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide has a molecular weight of 406.49 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(furan-2-yl)phenyl]ethylsulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42645776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).