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

C18H16N2O5S2 — CID 42645778

IUPAC2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H16N2O5S2/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/h1-13,20H,(H2,19,23,24)/b13-11+
InChIKeyNDGUTZUJOOVPOQ-ACCUITESSA-N
MW404.47 g/mol
LogP3.01
Rot. Bonds6

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

2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42645778) has the molecular formula C18H16N2O5S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
PubChem CID42645778
Molecular FormulaC18H16N2O5S2
Molecular Weight404.47 g/mol
Exact Mass404.05
IUPAC Name2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1
InChIInChI=1S/C18H16N2O5S2/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/h1-13,20H,(H2,19,23,24)/b13-11+
InChIKeyNDGUTZUJOOVPOQ-ACCUITESSA-N
XLogP3.01
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide (CID 42645778) is 2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide is NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1.
What is the InChIKey of 2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is NDGUTZUJOOVPOQ-ACCUITESSA-N. The full InChI is InChI=1S/C18H16N2O5S2/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/h1-13,20H,(H2,19,23,24)/b13-11+.
What are the key properties of 2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 404.47 g/mol, XLogP of 3.01, 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-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42645778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).