3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide

C15H12F2N2O4S — CID 173039541

IUPAC3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cccc(S(=O)(=O)N(F)c2ccc(F)cc2)c1)NO
InChIInChI=1S/C15H12F2N2O4S/c16-12-5-7-13(8-6-12)19(17)24(22,23)14-3-1-2-11(10-14)4-9-15(20)18-21/h1-10,21H,(H,18,20)
InChIKeyQLEPNDNYMPAUHN-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.42
Rot. Bonds5

About 3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide

3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 173039541) has the molecular formula C15H12F2N2O4S and a molecular weight of 354.33 g/mol. Its IUPAC name is 3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID173039541
Molecular FormulaC15H12F2N2O4S
Molecular Weight354.33 g/mol
Exact Mass354.05
IUPAC Name3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cccc(S(=O)(=O)N(F)c2ccc(F)cc2)c1)NO
InChIInChI=1S/C15H12F2N2O4S/c16-12-5-7-13(8-6-12)19(17)24(22,23)14-3-1-2-11(10-14)4-9-15(20)18-21/h1-10,21H,(H,18,20)
InChIKeyQLEPNDNYMPAUHN-UHFFFAOYSA-N
XLogP2.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
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': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 91552459
(E)-3-[3-[cyclohexa-1,5-dien-1-yl(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 88950309
(E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide
CID 20780494
N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86591900
3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
CID 154235698
[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl] 4-fluorobenzenesulfonate
CID 175271068
(E)-N-hydroxy-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 10127245
(E)-3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 10127077
(E)-3-[4-[[(4-fluorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 155155573
N-hydroxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 90827276
3-[3-[4-(2-fluorophenyl)-2-iodopiperazin-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 173135254
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313

Frequently Asked Questions

What is the IUPAC name of 3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide (CID 173039541) is 3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1cccc(S(=O)(=O)N(F)c2ccc(F)cc2)c1)NO.
What is the InChIKey of 3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is QLEPNDNYMPAUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4S/c16-12-5-7-13(8-6-12)19(17)24(22,23)14-3-1-2-11(10-14)4-9-15(20)18-21/h1-10,21H,(H,18,20).
What are the key properties of 3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 354.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 173039541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).