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

C16H16N2O5S — CID 10247137

IUPAC(E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18-13-5-2-12(3-6-13)4-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-4+
InChIKeyOGJOCFPURGELIS-NYYWCZLTSA-N
MW348.38 g/mol
LogP2.01
Rot. Bonds6

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

(E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide (PubChem CID 10247137) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide
PubChem CID10247137
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name(E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18-13-5-2-12(3-6-13)4-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-4+
InChIKeyOGJOCFPURGELIS-NYYWCZLTSA-N
XLogP2.01
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.01
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-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide (CID 10247137) is (E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide is COc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is OGJOCFPURGELIS-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18-13-5-2-12(3-6-13)4-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-4+.
What are the key properties of (E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide has a molecular weight of 348.38 g/mol, XLogP of 2.01, 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-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 10247137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).