4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide

C15H13ClF2N2O5S2 — CID 68782626

IUPAC4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)C=Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13ClF2N2O5S2/c16-11-3-6-14(27(19,23)24)13(9-11)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)
InChIKeySHYNMFKFTLOZMY-UHFFFAOYSA-N
MW438.86 g/mol
LogP3.00
Rot. Bonds7

About 4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide

4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide (PubChem CID 68782626) has the molecular formula C15H13ClF2N2O5S2 and a molecular weight of 438.86 g/mol. Its IUPAC name is 4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide
PubChem CID68782626
Molecular FormulaC15H13ClF2N2O5S2
Molecular Weight438.86 g/mol
Exact Mass437.99
IUPAC Name4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)C=Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13ClF2N2O5S2/c16-11-3-6-14(27(19,23)24)13(9-11)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)
InChIKeySHYNMFKFTLOZMY-UHFFFAOYSA-N
XLogP3.00
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
CID 42646759
4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
CID 76869846
2-[2-[2-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide
CID 68787125
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide
CID 90481162
(E)-N-(4-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 2477751
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7914580
4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide
CID 6213409
5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide
CID 68780541
2-(4-bromophenyl)-N-(4-chlorophenyl)ethenesulfonamide
CID 66810710
(E)-2-(4-chlorophenyl)-N-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 31073687
(E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide
CID 103944087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide?
The IUPAC name of 4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide (CID 68782626) is 4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)C=Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide?
The InChIKey is SHYNMFKFTLOZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O5S2/c16-11-3-6-14(27(19,23)24)13(9-11)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).
What are the key properties of 4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide?
4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide has a molecular weight of 438.86 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide is sourced from PubChem (CID 68782626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).