3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide

C15H13BrN2O4S — CID 91552459

IUPAC3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cccc(S(=O)(=O)N(Br)c2ccccc2)c1)NO
InChIInChI=1S/C15H13BrN2O4S/c16-18(13-6-2-1-3-7-13)23(21,22)14-8-4-5-12(11-14)9-10-15(19)17-20/h1-11,20H,(H,17,19)
InChIKeyVPHUNBBYXHUEFA-UHFFFAOYSA-N
MW397.25 g/mol
LogP2.71
Rot. Bonds5

About 3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide

3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 91552459) has the molecular formula C15H13BrN2O4S and a molecular weight of 397.25 g/mol. Its IUPAC name is 3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID91552459
Molecular FormulaC15H13BrN2O4S
Molecular Weight397.25 g/mol
Exact Mass395.98
IUPAC Name3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cccc(S(=O)(=O)N(Br)c2ccccc2)c1)NO
InChIInChI=1S/C15H13BrN2O4S/c16-18(13-6-2-1-3-7-13)23(21,22)14-8-4-5-12(11-14)9-10-15(19)17-20/h1-11,20H,(H,17,19)
InChIKeyVPHUNBBYXHUEFA-UHFFFAOYSA-N
XLogP2.71
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 52.71
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-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 173039541
(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
(E)-N-hydroxy-3-[3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]prop-2-enamide
CID 172652640
3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
CID 154235698
(E)-3-[3-(diethylsulfamoyl)phenyl]prop-2-enoic acid
CID 109375261
N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86591900
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
(2S)-2-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 121333998
cyclopentyl (2S)-2-[[3-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonylamino]-2-phenylacetate
CID 91549188
N-hydroxy-7-phenylhepta-2,4,6-trienamide
CID 71362968
(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189

Frequently Asked Questions

What is the IUPAC name of 3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide (CID 91552459) is 3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1cccc(S(=O)(=O)N(Br)c2ccccc2)c1)NO.
What is the InChIKey of 3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is VPHUNBBYXHUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4S/c16-18(13-6-2-1-3-7-13)23(21,22)14-8-4-5-12(11-14)9-10-15(19)17-20/h1-11,20H,(H,17,19).
What are the key properties of 3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 397.25 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 91552459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).