5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide

C15H15FN2O5S2 — CID 42646997

IUPAC5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ccccc1/C=C/S(=O)(=O)Nc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C15H15FN2O5S2/c1-23-14-5-3-2-4-11(14)8-9-24(19,20)18-13-7-6-12(16)10-15(13)25(17,21)22/h2-10,18H,1H3,(H2,17,21,22)/b9-8+
InChIKeyLCZFMSKPYIDKBC-CMDGGOBGSA-N
MW386.43 g/mol
LogP1.89
Rot. Bonds6

About 5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide

5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42646997) has the molecular formula C15H15FN2O5S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
PubChem CID42646997
Molecular FormulaC15H15FN2O5S2
Molecular Weight386.43 g/mol
Exact Mass386.04
IUPAC Name5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ccccc1/C=C/S(=O)(=O)Nc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C15H15FN2O5S2/c1-23-14-5-3-2-4-11(14)8-9-24(19,20)18-13-7-6-12(16)10-15(13)25(17,21)22/h2-10,18H,1H3,(H2,17,21,22)/b9-8+
InChIKeyLCZFMSKPYIDKBC-CMDGGOBGSA-N
XLogP1.89
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.89
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-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide (CID 42646997) is 5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide is COc1ccccc1/C=C/S(=O)(=O)Nc1ccc(F)cc1S(N)(=O)=O.
What is the InChIKey of 5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is LCZFMSKPYIDKBC-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15FN2O5S2/c1-23-14-5-3-2-4-11(14)8-9-24(19,20)18-13-7-6-12(16)10-15(13)25(17,21)22/h2-10,18H,1H3,(H2,17,21,22)/b9-8+.
What are the key properties of 5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
5-fluoro-2-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 386.43 g/mol, XLogP of 1.89, 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-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42646997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).