(E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide

C16H13F3N2O5S — CID 10111698

IUPAC(E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1)NO
InChIInChI=1S/C16H13F3N2O5S/c17-16(18,19)26-13-7-5-12(6-8-13)21-27(24,25)14-3-1-2-11(10-14)4-9-15(22)20-23/h1-10,21,23H,(H,20,22)/b9-4+
InChIKeyBSYRTMXHPGHCGM-RUDMXATFSA-N
MW402.35 g/mol
LogP2.90
Rot. Bonds6

About (E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide (PubChem CID 10111698) has the molecular formula C16H13F3N2O5S and a molecular weight of 402.35 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide
PubChem CID10111698
Molecular FormulaC16H13F3N2O5S
Molecular Weight402.35 g/mol
Exact Mass402.05
IUPAC Name(E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1)NO
InChIInChI=1S/C16H13F3N2O5S/c17-16(18,19)26-13-7-5-12(6-8-13)21-27(24,25)14-3-1-2-11(10-14)4-9-15(22)20-23/h1-10,21,23H,(H,20,22)/b9-4+
InChIKeyBSYRTMXHPGHCGM-RUDMXATFSA-N
XLogP2.90
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide (CID 10111698) is (E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide is O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is BSYRTMXHPGHCGM-RUDMXATFSA-N. The full InChI is InChI=1S/C16H13F3N2O5S/c17-16(18,19)26-13-7-5-12(6-8-13)21-27(24,25)14-3-1-2-11(10-14)4-9-15(22)20-23/h1-10,21,23H,(H,20,22)/b9-4+.
What are the key properties of (E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 402.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 10111698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).