2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide

C15H15FN2O5S2 — CID 42647221

IUPAC2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ccccc1/C=C/S(=O)(=O)Nc1cccc(F)c1S(N)(=O)=O
InChIInChI=1S/C15H15FN2O5S2/c1-23-14-8-3-2-5-11(14)9-10-24(19,20)18-13-7-4-6-12(16)15(13)25(17,21)22/h2-10,18H,1H3,(H2,17,21,22)/b10-9+
InChIKeySXOSYTOXUGKPMP-MDZDMXLPSA-N
MW386.43 g/mol
LogP1.89
Rot. Bonds6

About 2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide

2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42647221) has the molecular formula C15H15FN2O5S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
PubChem CID42647221
Molecular FormulaC15H15FN2O5S2
Molecular Weight386.43 g/mol
Exact Mass386.04
IUPAC Name2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ccccc1/C=C/S(=O)(=O)Nc1cccc(F)c1S(N)(=O)=O
InChIInChI=1S/C15H15FN2O5S2/c1-23-14-8-3-2-5-11(14)9-10-24(19,20)18-13-7-4-6-12(16)15(13)25(17,21)22/h2-10,18H,1H3,(H2,17,21,22)/b10-9+
InChIKeySXOSYTOXUGKPMP-MDZDMXLPSA-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 2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide (CID 42647221) is 2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide is COc1ccccc1/C=C/S(=O)(=O)Nc1cccc(F)c1S(N)(=O)=O.
What is the InChIKey of 2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is SXOSYTOXUGKPMP-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H15FN2O5S2/c1-23-14-8-3-2-5-11(14)9-10-24(19,20)18-13-7-4-6-12(16)15(13)25(17,21)22/h2-10,18H,1H3,(H2,17,21,22)/b10-9+.
What are the key properties of 2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
2-fluoro-6-[[(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 2-fluoro-6-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42647221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).