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

C15H13N3O6S — CID 22986781

IUPAC(E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)NO
InChIInChI=1S/C15H13N3O6S/c19-15(16-20)10-3-11-1-4-12(5-2-11)17-25(23,24)14-8-6-13(7-9-14)18(21)22/h1-10,17,20H,(H,16,19)/b10-3+
InChIKeyIKLORKBSKYBOFG-XCVCLJGOSA-N
MW363.35 g/mol
LogP1.91
Rot. Bonds6

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

(E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide (PubChem CID 22986781) has the molecular formula C15H13N3O6S and a molecular weight of 363.35 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide
PubChem CID22986781
Molecular FormulaC15H13N3O6S
Molecular Weight363.35 g/mol
Exact Mass363.05
IUPAC Name(E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)NO
InChIInChI=1S/C15H13N3O6S/c19-15(16-20)10-3-11-1-4-12(5-2-11)17-25(23,24)14-8-6-13(7-9-14)18(21)22/h1-10,17,20H,(H,16,19)/b10-3+
InChIKeyIKLORKBSKYBOFG-XCVCLJGOSA-N
XLogP1.91
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide (CID 22986781) is (E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is IKLORKBSKYBOFG-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H13N3O6S/c19-15(16-20)10-3-11-1-4-12(5-2-11)17-25(23,24)14-8-6-13(7-9-14)18(21)22/h1-10,17,20H,(H,16,19)/b10-3+.
What are the key properties of (E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide has a molecular weight of 363.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 22986781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).