(E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide

C15H12F2N2O4S — CID 171347676

IUPAC(E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1)NO
InChIInChI=1S/C15H12F2N2O4S/c16-11-7-12(17)9-13(8-11)19-24(22,23)14-4-1-10(2-5-14)3-6-15(20)18-21/h1-9,19,21H,(H,18,20)/b6-3+
InChIKeyDAXZERYOFDXUJS-ZZXKWVIFSA-N
MW354.33 g/mol
LogP2.28
Rot. Bonds5

About (E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 171347676) has the molecular formula C15H12F2N2O4S and a molecular weight of 354.33 g/mol. Its IUPAC name is (E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID171347676
Molecular FormulaC15H12F2N2O4S
Molecular Weight354.33 g/mol
Exact Mass354.05
IUPAC Name(E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1)NO
InChIInChI=1S/C15H12F2N2O4S/c16-11-7-12(17)9-13(8-11)19-24(22,23)14-4-1-10(2-5-14)3-6-15(20)18-21/h1-9,19,21H,(H,18,20)/b6-3+
InChIKeyDAXZERYOFDXUJS-ZZXKWVIFSA-N
XLogP2.28
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide (CID 171347676) is (E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1)NO.
What is the InChIKey of (E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is DAXZERYOFDXUJS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H12F2N2O4S/c16-11-7-12(17)9-13(8-11)19-24(22,23)14-4-1-10(2-5-14)3-6-15(20)18-21/h1-9,19,21H,(H,18,20)/b6-3+.
What are the key properties of (E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 354.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3,5-difluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 171347676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).