(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide

C12H15FN2O4S — CID 6539683

IUPAC(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C2CC2)ccc1F
InChIInChI=1S/C12H15FN2O4S/c1-7-6-9(4-5-10(7)13)20(18,19)15-11(8-2-3-8)12(16)14-17/h4-6,8,11,15,17H,2-3H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyATUWCAJLRJDQBC-LLVKDONJSA-N
MW302.33 g/mol
LogP0.70
Rot. Bonds5

About (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide

(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 6539683) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID6539683
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C2CC2)ccc1F
InChIInChI=1S/C12H15FN2O4S/c1-7-6-9(4-5-10(7)13)20(18,19)15-11(8-2-3-8)12(16)14-17/h4-6,8,11,15,17H,2-3H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyATUWCAJLRJDQBC-LLVKDONJSA-N
XLogP0.70
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.70
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-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide (CID 6539683) is (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide is Cc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C2CC2)ccc1F.
What is the InChIKey of (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is ATUWCAJLRJDQBC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-7-6-9(4-5-10(7)13)20(18,19)15-11(8-2-3-8)12(16)14-17/h4-6,8,11,15,17H,2-3H2,1H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 302.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 6539683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).