(2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide

C17H19FN2O4S — CID 86277896

IUPAC(2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C17H19FN2O4S/c1-12-10-15(8-9-16(12)18)25(23,24)20(13(2)17(21)19-22)11-14-6-4-3-5-7-14/h3-10,13,22H,11H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyZVJSGLFNUKONDD-CYBMUJFWSA-N
MW366.41 g/mol
LogP2.22
Rot. Bonds6

About (2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide

(2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 86277896) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is (2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID86277896
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name(2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C17H19FN2O4S/c1-12-10-15(8-9-16(12)18)25(23,24)20(13(2)17(21)19-22)11-14-6-4-3-5-7-14/h3-10,13,22H,11H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyZVJSGLFNUKONDD-CYBMUJFWSA-N
XLogP2.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Hydroxamate 17
CID 23645529
Hydroxamate 23
CID 23645530
Hydroxamate 29
CID 10766622
Hydroxamate 11
CID 10001582
N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]-4-methylvaleramide
CID 10792025
N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]propionamide
CID 23645528
N-Hydroxy-2-[benzyl(nonafluorobutylsulfonyl)amino]-3-methylbutyramide
CID 23645531
(2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-hydroxy-2-phenylacetamide
CID 6539687
Hydroxamate 44
CID 10027203
hydroxamate deriv. B22
CID 10455715
hydroxamate deriv. B9
CID 23645795
hydroxamate deriv. D1
CID 23645830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (CID 86277896) is (2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is Cc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is ZVJSGLFNUKONDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12-10-15(8-9-16(12)18)25(23,24)20(13(2)17(21)19-22)11-14-6-4-3-5-7-14/h3-10,13,22H,11H2,1-2H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
(2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 366.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 86277896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).