2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide

C15H13F3N2O5S2 — CID 42646759

IUPAC2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13F3N2O5S2/c16-11-3-6-13(14(9-11)27(19,23)24)20-26(21,22)8-7-10-1-4-12(5-2-10)25-15(17)18/h1-9,15,20H,(H2,19,23,24)/b8-7+
InChIKeyRHEJXPRFCTZRMK-BQYQJAHWSA-N
MW422.41 g/mol
LogP2.49
Rot. Bonds7

About 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide

2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide (PubChem CID 42646759) has the molecular formula C15H13F3N2O5S2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
PubChem CID42646759
Molecular FormulaC15H13F3N2O5S2
Molecular Weight422.41 g/mol
Exact Mass422.02
IUPAC Name2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13F3N2O5S2/c16-11-3-6-13(14(9-11)27(19,23)24)20-26(21,22)8-7-10-1-4-12(5-2-10)25-15(17)18/h1-9,15,20H,(H2,19,23,24)/b8-7+
InChIKeyRHEJXPRFCTZRMK-BQYQJAHWSA-N
XLogP2.49
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide
CID 68782626
5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
CID 42646502
2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-4-fluorobenzenesulfonamide
CID 42644607
2-[2-[2-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide
CID 68787125
2-[[(E)-2-(2-cyclopenta[b]pyran-2-ylphenyl)ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
CID 87573942
N-(2-amino-5-fluorophenyl)-2-phenylethenesulfonamide
CID 76991022
(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60533207
4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
CID 76869846
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
(E)-N-(4-fluoro-2-sulfinamoylphenyl)-2-[4-(furan-2-yl)phenyl]ethenesulfonamide
CID 143826033
(E)-2-(4-fluorophenyl)ethenesulfonamide
CID 22750880
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide
CID 70038153

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide (CID 42646759) is 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide?
The InChIKey is RHEJXPRFCTZRMK-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13F3N2O5S2/c16-11-3-6-13(14(9-11)27(19,23)24)20-26(21,22)8-7-10-1-4-12(5-2-10)25-15(17)18/h1-9,15,20H,(H2,19,23,24)/b8-7+.
What are the key properties of 2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide?
2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide has a molecular weight of 422.41 g/mol, XLogP of 2.49, 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]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 42646759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).