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

C13H19FN2O4S — CID 6539681

IUPAC(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide
SMILESCCCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
InChIInChI=1S/C13H19FN2O4S/c1-3-4-5-12(13(17)15-18)16-21(19,20)10-6-7-11(14)9(2)8-10/h6-8,12,16,18H,3-5H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyOUZHNKSAQNAXTF-GFCCVEGCSA-N
MW318.37 g/mol
LogP1.48
Rot. Bonds7

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

(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide (PubChem CID 6539681) 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-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide
PubChem CID6539681
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide
SMILESCCCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO
InChIInChI=1S/C13H19FN2O4S/c1-3-4-5-12(13(17)15-18)16-21(19,20)10-6-7-11(14)9(2)8-10/h6-8,12,16,18H,3-5H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyOUZHNKSAQNAXTF-GFCCVEGCSA-N
XLogP1.48
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.48
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-hydroxyhexanamide?
The IUPAC name of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide (CID 6539681) is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide is CCCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO.
What is the InChIKey of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide?
The InChIKey is OUZHNKSAQNAXTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-3-4-5-12(13(17)15-18)16-21(19,20)10-6-7-11(14)9(2)8-10/h6-8,12,16,18H,3-5H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide?
(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxyhexanamide has a molecular weight of 318.37 g/mol, XLogP of 1.48, 7 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-hydroxyhexanamide is sourced from PubChem (CID 6539681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).