(2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide

C15H17FN2O4S — CID 6539673

IUPAC(2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(F)c2ccccc12)C(=O)NO
InChIInChI=1S/C15H17FN2O4S/c1-9(2)14(15(19)17-20)18-23(21,22)13-8-7-12(16)10-5-3-4-6-11(10)13/h3-9,14,18,20H,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyUMBOKYASDDITHT-CQSZACIVSA-N
MW340.38 g/mol
LogP1.79
Rot. Bonds5

About (2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide

(2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 6539673) has the molecular formula C15H17FN2O4S and a molecular weight of 340.38 g/mol. Its IUPAC name is (2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID6539673
Molecular FormulaC15H17FN2O4S
Molecular Weight340.38 g/mol
Exact Mass340.09
IUPAC Name(2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(F)c2ccccc12)C(=O)NO
InChIInChI=1S/C15H17FN2O4S/c1-9(2)14(15(19)17-20)18-23(21,22)13-8-7-12(16)10-5-3-4-6-11(10)13/h3-9,14,18,20H,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyUMBOKYASDDITHT-CQSZACIVSA-N
XLogP1.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.79
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-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 6539673) is (2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide is CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c2ccccc12)C(=O)NO.
What is the InChIKey of (2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is UMBOKYASDDITHT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17FN2O4S/c1-9(2)14(15(19)17-20)18-23(21,22)13-8-7-12(16)10-5-3-4-6-11(10)13/h3-9,14,18,20H,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 340.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluoronaphthalen-1-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 6539673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).