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

C15H14F2N2O5S2 — CID 42645780

IUPAC2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14F2N2O5S2/c16-15(17)24-12-7-5-11(6-8-12)9-10-25(20,21)19-13-3-1-2-4-14(13)26(18,22)23/h1-10,15,19H,(H2,18,22,23)/b10-9+
InChIKeyUQPDTOOCKMJAMI-MDZDMXLPSA-N
MW404.42 g/mol
LogP2.35
Rot. Bonds7

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

2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42645780) has the molecular formula C15H14F2N2O5S2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
PubChem CID42645780
Molecular FormulaC15H14F2N2O5S2
Molecular Weight404.42 g/mol
Exact Mass404.03
IUPAC Name2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14F2N2O5S2/c16-15(17)24-12-7-5-11(6-8-12)9-10-25(20,21)19-13-3-1-2-4-14(13)26(18,22)23/h1-10,15,19H,(H2,18,22,23)/b10-9+
InChIKeyUQPDTOOCKMJAMI-MDZDMXLPSA-N
XLogP2.35
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.35
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-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide (CID 42645780) is 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide is NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is UQPDTOOCKMJAMI-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H14F2N2O5S2/c16-15(17)24-12-7-5-11(6-8-12)9-10-25(20,21)19-13-3-1-2-4-14(13)26(18,22)23/h1-10,15,19H,(H2,18,22,23)/b10-9+.
What are the key properties of 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 404.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42645780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).