3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide

C15H12F4N2O4S2 — CID 42643641

IUPAC3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(F)c1NS(=O)(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F4N2O4S2/c16-12-5-2-6-13(27(20,24)25)14(12)21-26(22,23)8-7-10-3-1-4-11(9-10)15(17,18)19/h1-9,21H,(H2,20,24,25)/b8-7+
InChIKeyMEPCNOKPFQVUEG-BQYQJAHWSA-N
MW424.40 g/mol
LogP2.90
Rot. Bonds5

About 3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide

3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42643641) has the molecular formula C15H12F4N2O4S2 and a molecular weight of 424.40 g/mol. Its IUPAC name is 3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
PubChem CID42643641
Molecular FormulaC15H12F4N2O4S2
Molecular Weight424.40 g/mol
Exact Mass424.02
IUPAC Name3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(F)c1NS(=O)(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F4N2O4S2/c16-12-5-2-6-13(27(20,24)25)14(12)21-26(22,23)8-7-10-3-1-4-11(9-10)15(17,18)19/h1-9,21H,(H2,20,24,25)/b8-7+
InChIKeyMEPCNOKPFQVUEG-BQYQJAHWSA-N
XLogP2.90
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60532924
3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide
CID 141354500
5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide
CID 68780541
2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide
CID 68779942
(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285
CID 70262336
CID 70262336
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476262
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
CID 32940502
4-methyl-2-sulfamoyl-1-[sulfinato-[2-[3-(trifluoromethyl)phenyl]ethenyl]amino]benzene
CID 173483596

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide (CID 42643641) is 3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide is NS(=O)(=O)c1cccc(F)c1NS(=O)(=O)/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is MEPCNOKPFQVUEG-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H12F4N2O4S2/c16-12-5-2-6-13(27(20,24)25)14(12)21-26(22,23)8-7-10-3-1-4-11(9-10)15(17,18)19/h1-9,21H,(H2,20,24,25)/b8-7+.
What are the key properties of 3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide?
3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 424.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42643641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).