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

C12H17FN2O4S — CID 6539664

IUPAC(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)C)ccc1F
InChIInChI=1S/C12H17FN2O4S/c1-7(2)11(12(16)14-17)15-20(18,19)9-4-5-10(13)8(3)6-9/h4-7,11,15,17H,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyOTOLRSAMHBIUHP-LLVKDONJSA-N
MW304.34 g/mol
LogP0.94
Rot. Bonds5

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

(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 6539664) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID6539664
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)C)ccc1F
InChIInChI=1S/C12H17FN2O4S/c1-7(2)11(12(16)14-17)15-20(18,19)9-4-5-10(13)8(3)6-9/h4-7,11,15,17H,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyOTOLRSAMHBIUHP-LLVKDONJSA-N
XLogP0.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.94
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-methylbutanamide?
The IUPAC name of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 6539664) is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is Cc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)C)ccc1F.
What is the InChIKey of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is OTOLRSAMHBIUHP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-7(2)11(12(16)14-17)15-20(18,19)9-4-5-10(13)8(3)6-9/h4-7,11,15,17H,1-3H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 304.34 g/mol, XLogP of 0.94, 5 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-methylbutanamide is sourced from PubChem (CID 6539664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).