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

C21H18N2O4S — CID 5353765

IUPAC(E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)NO
InChIInChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+
InChIKeyCITNMKKLNPYCDV-OVCLIPMQSA-N
MW394.45 g/mol
LogP3.67
Rot. Bonds6

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

(E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide (PubChem CID 5353765) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide
PubChem CID5353765
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name(E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)NO
InChIInChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+
InChIKeyCITNMKKLNPYCDV-OVCLIPMQSA-N
XLogP3.67
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.67
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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Related Compounds

Belinostat
CID 6918638
Oxamflatin
CID 5353852
5-(4-Benzenesulfonylamino-phenyl)-pent-2-en-4-ynoic acid hydroxyamide
CID 10154438
4-[4-[(4-Aminophenyl)methyl]phenyl]benzenesulfonamide
CID 122194786
3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-propionamide
CID 4144
5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
CID 4611
4-cyclohexyl-N-(4-methylphenyl)benzenesulfonamide
CID 766284
3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-acrylamide
CID 5353767
3-[4-(Benzenesulfonyl-methyl-amino)-phenyl]-N-hydroxy-acrylamide
CID 5353769
(E)-N-hydroxy-3-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 9836655
(E)-3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 9858973
(2E)-N-hydroxy-3-{3-[(4-methylphenyl)sulfamoyl]phenyl}prop-2-enamide
CID 9880674

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide (CID 5353765) is (E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is CITNMKKLNPYCDV-OVCLIPMQSA-N. The full InChI is InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+.
What are the key properties of (E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide has a molecular weight of 394.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 5353765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).