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

C13H17FN2O4S — CID 6539684

IUPAC(2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C2CCC2)ccc1F
InChIInChI=1S/C13H17FN2O4S/c1-8-7-10(5-6-11(8)14)21(19,20)16-12(13(17)15-18)9-3-2-4-9/h5-7,9,12,16,18H,2-4H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyYOWWUFPMKAGYMS-GFCCVEGCSA-N
MW316.35 g/mol
LogP1.09
Rot. Bonds5

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

(2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 6539684) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is (2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID6539684
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name(2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C2CCC2)ccc1F
InChIInChI=1S/C13H17FN2O4S/c1-8-7-10(5-6-11(8)14)21(19,20)16-12(13(17)15-18)9-3-2-4-9/h5-7,9,12,16,18H,2-4H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyYOWWUFPMKAGYMS-GFCCVEGCSA-N
XLogP1.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.09
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-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of (2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide (CID 6539684) is (2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for (2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for (2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide is Cc1cc(S(=O)(=O)N[C@@H](C(=O)NO)C2CCC2)ccc1F.
What is the InChIKey of (2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is YOWWUFPMKAGYMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-8-7-10(5-6-11(8)14)21(19,20)16-12(13(17)15-18)9-3-2-4-9/h5-7,9,12,16,18H,2-4H2,1H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
(2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 316.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclobutyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 6539684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).