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

C13H19FN2O4S — CID 6539682

IUPAC(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)(C)C)ccc1F
InChIInChI=1S/C13H19FN2O4S/c1-8-7-9(5-6-10(8)14)21(19,20)16-11(12(17)15-18)13(2,3)4/h5-7,11,16,18H,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyJAGIPNNWIKKVHL-NSHDSACASA-N
MW318.37 g/mol
LogP1.33
Rot. Bonds4

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

(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide (PubChem CID 6539682) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide
PubChem CID6539682
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)(C)C)ccc1F
InChIInChI=1S/C13H19FN2O4S/c1-8-7-9(5-6-10(8)14)21(19,20)16-11(12(17)15-18)13(2,3)4/h5-7,11,16,18H,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyJAGIPNNWIKKVHL-NSHDSACASA-N
XLogP1.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide (CID 6539682) is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide is Cc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)(C)C)ccc1F.
What is the InChIKey of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide?
The InChIKey is JAGIPNNWIKKVHL-NSHDSACASA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-8-7-9(5-6-10(8)14)21(19,20)16-11(12(17)15-18)13(2,3)4/h5-7,11,16,18H,1-4H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide?
(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide has a molecular weight of 318.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 6539682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).