(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide

C18H17ClN2O4S — CID 10249964

IUPAC(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide
SMILESCC(/C=C/C(=O)NO)=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O4S/c1-13(2-11-18(22)20-23)12-14-3-7-16(8-4-14)21-26(24,25)17-9-5-15(19)6-10-17/h2-12,21,23H,1H3,(H,20,22)/b11-2+,13-12+
InChIKeyBOBJQDUAMVBMAJ-HUYCJKDXSA-N
MW392.86 g/mol
LogP3.61
Rot. Bonds6

About (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide

(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide (PubChem CID 10249964) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide
PubChem CID10249964
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide
SMILESCC(/C=C/C(=O)NO)=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O4S/c1-13(2-11-18(22)20-23)12-14-3-7-16(8-4-14)21-26(24,25)17-9-5-15(19)6-10-17/h2-12,21,23H,1H3,(H,20,22)/b11-2+,13-12+
InChIKeyBOBJQDUAMVBMAJ-HUYCJKDXSA-N
XLogP3.61
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.61
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid
CID 11176374
ethyl (2E,4E,6E)-7-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-6-methylhepta-2,4,6-trienoate
CID 11384927
3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019619
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-3-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 22986777
ethyl 5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoate
CID 72747886
(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
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide (CID 10249964) is (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide is CC(/C=C/C(=O)NO)=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide?
The InChIKey is BOBJQDUAMVBMAJ-HUYCJKDXSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-13(2-11-18(22)20-23)12-14-3-7-16(8-4-14)21-26(24,25)17-9-5-15(19)6-10-17/h2-12,21,23H,1H3,(H,20,22)/b11-2+,13-12+.
What are the key properties of (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide?
(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide has a molecular weight of 392.86 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide is sourced from PubChem (CID 10249964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).