(2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide

C13H19FN2O4S — CID 6539690

IUPAC(2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
InChIInChI=1S/C13H19FN2O4S/c1-4-8(2)12(13(17)15-18)16-21(19,20)10-5-6-11(14)9(3)7-10/h5-8,12,16,18H,4H2,1-3H3,(H,15,17)/t8-,12-/m1/s1
InChIKeyXDFIVMCCYJGRCH-PRHODGIISA-N
MW318.37 g/mol
LogP1.33
Rot. Bonds6

About (2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide

(2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide (PubChem CID 6539690) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide.

Molecular Properties

Compound Name(2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide
PubChem CID6539690
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name(2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide
SMILESCC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
InChIInChI=1S/C13H19FN2O4S/c1-4-8(2)12(13(17)15-18)16-21(19,20)10-5-6-11(14)9(3)7-10/h5-8,12,16,18H,4H2,1-3H3,(H,15,17)/t8-,12-/m1/s1
InChIKeyXDFIVMCCYJGRCH-PRHODGIISA-N
XLogP1.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide?
The IUPAC name of (2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide (CID 6539690) is (2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide.
What is the SMILES notation for (2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide?
The canonical SMILES for (2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide is CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO.
What is the InChIKey of (2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide?
The InChIKey is XDFIVMCCYJGRCH-PRHODGIISA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-4-8(2)12(13(17)15-18)16-21(19,20)10-5-6-11(14)9(3)7-10/h5-8,12,16,18H,4H2,1-3H3,(H,15,17)/t8-,12-/m1/s1.
What are the key properties of (2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide?
(2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide has a molecular weight of 318.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylpentanamide is sourced from PubChem (CID 6539690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).