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

C16H16N2O4S — CID 10131653

IUPAC(E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(/C=C/C(=O)NO)c1
InChIInChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
InChIKeyXDGZMSJUKYHOFR-ZHACJKMWSA-N
MW332.38 g/mol
LogP2.03
Rot. Bonds5

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

(E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 10131653) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID10131653
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(/C=C/C(=O)NO)c1
InChIInChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
InChIKeyXDGZMSJUKYHOFR-ZHACJKMWSA-N
XLogP2.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.03
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': '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-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide (CID 10131653) is (E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide is CN(c1ccccc1)S(=O)(=O)c1cccc(/C=C/C(=O)NO)c1.
What is the InChIKey of (E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is XDGZMSJUKYHOFR-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+.
What are the key properties of (E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 332.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 10131653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).