(E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide

C10H10ClNO4S — CID 24860353

IUPAC(E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide
SMILESCS(=O)(=O)c1cc(Cl)ccc1/C=C/C(=O)NO
InChIInChI=1S/C10H10ClNO4S/c1-17(15,16)9-6-8(11)4-2-7(9)3-5-10(13)12-14/h2-6,14H,1H3,(H,12,13)/b5-3+
InChIKeyILXSBXNSALESLV-HWKANZROSA-N
MW275.71 g/mol
LogP1.26
Rot. Bonds3

About (E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide

(E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide (PubChem CID 24860353) has the molecular formula C10H10ClNO4S and a molecular weight of 275.71 g/mol. Its IUPAC name is (E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide
PubChem CID24860353
Molecular FormulaC10H10ClNO4S
Molecular Weight275.71 g/mol
Exact Mass275.00
IUPAC Name(E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide
SMILESCS(=O)(=O)c1cc(Cl)ccc1/C=C/C(=O)NO
InChIInChI=1S/C10H10ClNO4S/c1-17(15,16)9-6-8(11)4-2-7(9)3-5-10(13)12-14/h2-6,14H,1H3,(H,12,13)/b5-3+
InChIKeyILXSBXNSALESLV-HWKANZROSA-N
XLogP1.26
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.26
H-Bond Donors ≤ 52
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-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
CID 24860349
(E)-3-(4-chloro-2-cyanophenyl)-N-hydroxyprop-2-enamide
CID 24860354
3-(5-chloro-2-phenylphenyl)-N-hydroxyprop-2-enamide
CID 151114829
(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
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163694
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
4-chloro-2-methylsulfonylphenol
CID 130032505
(E)-3-(4-chlorophenyl)-N-methylsulfonylprop-2-enamide
CID 47232697
3-[4-[3-(3-chlorophenyl)-3-oxoprop-1-enyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide
CID 73031043
(E)-3-(2,4-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140856
(E)-3-(2,4-dichlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9107077

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide (CID 24860353) is (E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide is CS(=O)(=O)c1cc(Cl)ccc1/C=C/C(=O)NO.
What is the InChIKey of (E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide?
The InChIKey is ILXSBXNSALESLV-HWKANZROSA-N. The full InChI is InChI=1S/C10H10ClNO4S/c1-17(15,16)9-6-8(11)4-2-7(9)3-5-10(13)12-14/h2-6,14H,1H3,(H,12,13)/b5-3+.
What are the key properties of (E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide?
(E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide has a molecular weight of 275.71 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-2-methylsulfonylphenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24860353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).