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

C16H13F3N2O5S — CID 22986786

IUPAC(E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)NO
InChIInChI=1S/C16H13F3N2O5S/c17-16(18,19)26-13-6-8-14(9-7-13)27(24,25)21-12-4-1-11(2-5-12)3-10-15(22)20-23/h1-10,21,23H,(H,20,22)/b10-3+
InChIKeyXKIRBCHKTVYWEY-XCVCLJGOSA-N
MW402.35 g/mol
LogP2.90
Rot. Bonds6

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

(E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide (PubChem CID 22986786) has the molecular formula C16H13F3N2O5S and a molecular weight of 402.35 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide
PubChem CID22986786
Molecular FormulaC16H13F3N2O5S
Molecular Weight402.35 g/mol
Exact Mass402.05
IUPAC Name(E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)NO
InChIInChI=1S/C16H13F3N2O5S/c17-16(18,19)26-13-6-8-14(9-7-13)27(24,25)21-12-4-1-11(2-5-12)3-10-15(22)20-23/h1-10,21,23H,(H,20,22)/b10-3+
InChIKeyXKIRBCHKTVYWEY-XCVCLJGOSA-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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Related Compounds

(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 25981084
(2E)-3-(3-(((4-Methoxyphenyl)sulfonyl)amino)phenyl)-2-propenoic acid
CID 805419
NJ65Yjm5PE
CID 5353770
(E)-N-hydroxy-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 9902895
(E)-N-hydroxy-3-[3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enamide
CID 10111698
(E)-3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 10134605
N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10247137
(E)-N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10269218
(E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
CID 10339233
(E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 11406292
4-methoxy-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 755970
(2E,4E)-N-hydroxy-5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienamide
CID 11280685

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide (CID 22986786) is (E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is XKIRBCHKTVYWEY-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H13F3N2O5S/c17-16(18,19)26-13-6-8-14(9-7-13)27(24,25)21-12-4-1-11(2-5-12)3-10-15(22)20-23/h1-10,21,23H,(H,20,22)/b10-3+.
What are the key properties of (E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]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-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 22986786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).