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

C17H18N2O4S — CID 22986777

IUPAC(E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1C
InChIInChI=1S/C17H18N2O4S/c1-12-3-9-16(11-13(12)2)24(22,23)19-15-7-4-14(5-8-15)6-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-6+
InChIKeyZVDHCRVPPSHYAU-UXBLZVDNSA-N
MW346.41 g/mol
LogP2.62
Rot. Bonds5

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

(E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 22986777) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID22986777
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1C
InChIInChI=1S/C17H18N2O4S/c1-12-3-9-16(11-13(12)2)24(22,23)19-15-7-4-14(5-8-15)6-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-6+
InChIKeyZVDHCRVPPSHYAU-UXBLZVDNSA-N
XLogP2.62
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.62
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'}

Analyze (E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227042
(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-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019607
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26657138
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
CID 10992230

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide (CID 22986777) is (E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide is Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1C.
What is the InChIKey of (E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is ZVDHCRVPPSHYAU-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12-3-9-16(11-13(12)2)24(22,23)19-15-7-4-14(5-8-15)6-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-6+.
What are the key properties of (E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 346.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 22986777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).