(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide

C19H16N2O4S — CID 10992230

IUPAC(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)NO
InChIInChI=1S/C19H16N2O4S/c22-19(20-23)13-10-14-8-11-16(12-9-14)21-26(24,25)18-7-3-5-15-4-1-2-6-17(15)18/h1-13,21,23H,(H,20,22)/b13-10+
InChIKeyISHCSRKCMDQJLZ-JLHYYAGUSA-N
MW368.41 g/mol
LogP3.16
Rot. Bonds5

About (E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide (PubChem CID 10992230) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
PubChem CID10992230
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)NO
InChIInChI=1S/C19H16N2O4S/c22-19(20-23)13-10-14-8-11-16(12-9-14)21-26(24,25)18-7-3-5-15-4-1-2-6-17(15)18/h1-13,21,23H,(H,20,22)/b13-10+
InChIKeyISHCSRKCMDQJLZ-JLHYYAGUSA-N
XLogP3.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.16
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

(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161
N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide
CID 74014271
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
(E)-3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 22986769
3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 74014269
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
(E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 22986777
N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate
CID 18668246
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide (CID 10992230) is (E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide?
The InChIKey is ISHCSRKCMDQJLZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-19(20-23)13-10-14-8-11-16(12-9-14)21-26(24,25)18-7-3-5-15-4-1-2-6-17(15)18/h1-13,21,23H,(H,20,22)/b13-10+.
What are the key properties of (E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide has a molecular weight of 368.41 g/mol, XLogP of 3.16, 5 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-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 10992230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).