3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide

C15H12Cl2N2O4S — CID 74014269

IUPAC3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1)NO
InChIInChI=1S/C15H12Cl2N2O4S/c16-11-4-7-14(13(17)9-11)24(22,23)19-12-5-1-10(2-6-12)3-8-15(20)18-21/h1-9,19,21H,(H,18,20)
InChIKeyVKEBHJZREIEUDJ-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.31
Rot. Bonds5

About 3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide

3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 74014269) has the molecular formula C15H12Cl2N2O4S and a molecular weight of 387.24 g/mol. Its IUPAC name is 3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID74014269
Molecular FormulaC15H12Cl2N2O4S
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1)NO
InChIInChI=1S/C15H12Cl2N2O4S/c16-11-4-7-14(13(17)9-11)24(22,23)19-12-5-1-10(2-6-12)3-8-15(20)18-21/h1-9,19,21H,(H,18,20)
InChIKeyVKEBHJZREIEUDJ-UHFFFAOYSA-N
XLogP3.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.31
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)-3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 22986769
3,5-dichloro-2-hydroxy-N-[4-[(E)-3-oxobut-1-enyl]phenyl]benzenesulfonamide
CID 69281379
(E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 22986777
(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244745
(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
CID 10992230
ethyl (E)-3-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]prop-2-enoate
CID 32676711
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide
CID 74014271
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019619
(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide
CID 10249964

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide (CID 74014269) is 3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1)NO.
What is the InChIKey of 3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is VKEBHJZREIEUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S/c16-11-4-7-14(13(17)9-11)24(22,23)19-12-5-1-10(2-6-12)3-8-15(20)18-21/h1-9,19,21H,(H,18,20).
What are the key properties of 3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 387.24 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74014269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).