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

C10H13FN2O4S — CID 6539679

IUPAC(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C10H13FN2O4S/c1-6-5-8(3-4-9(6)11)18(16,17)13-7(2)10(14)12-15/h3-5,7,13,15H,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyPGNDHTMCXOFNMS-SSDOTTSWSA-N
MW276.29 g/mol
LogP0.31
Rot. Bonds4

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

(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (PubChem CID 6539679) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
PubChem CID6539679
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
SMILESCc1cc(S(=O)(=O)N[C@H](C)C(=O)NO)ccc1F
InChIInChI=1S/C10H13FN2O4S/c1-6-5-8(3-4-9(6)11)18(16,17)13-7(2)10(14)12-15/h3-5,7,13,15H,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyPGNDHTMCXOFNMS-SSDOTTSWSA-N
XLogP0.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.31
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-hydroxypropanamide?
The IUPAC name of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide (CID 6539679) is (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide is Cc1cc(S(=O)(=O)N[C@H](C)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
The InChIKey is PGNDHTMCXOFNMS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-6-5-8(3-4-9(6)11)18(16,17)13-7(2)10(14)12-15/h3-5,7,13,15H,1-2H3,(H,12,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide?
(2R)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide has a molecular weight of 276.29 g/mol, XLogP of 0.31, 4 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-hydroxypropanamide is sourced from PubChem (CID 6539679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).