(E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide

C15H14N2O4S — CID 5353767

IUPAC(E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C15H14N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-11,17,19H,(H,16,18)/b11-8+
InChIKeyXPHVJIKSPLGZRT-DHZHZOJOSA-N
MW318.35 g/mol
LogP2.01
Rot. Bonds5

About (E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 5353767) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is (E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide
PubChem CID5353767
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name(E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C15H14N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-11,17,19H,(H,16,18)/b11-8+
InChIKeyXPHVJIKSPLGZRT-DHZHZOJOSA-N
XLogP2.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
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)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide (CID 5353767) is (E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1)NO.
What is the InChIKey of (E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is XPHVJIKSPLGZRT-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-11,17,19H,(H,16,18)/b11-8+.
What are the key properties of (E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 318.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(benzenesulfonamido)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 5353767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).