(2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide

C14H19FN2O4S — CID 6539692

IUPAC(2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C(=O)NO)[C@@H](C)C2CC2)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-8-7-11(5-6-12(8)15)22(20,21)17-13(14(18)16-19)9(2)10-3-4-10/h5-7,9-10,13,17,19H,3-4H2,1-2H3,(H,16,18)/t9-,13+/m0/s1
InChIKeyBBJCPZXJCFABTC-TVQRCGJNSA-N
MW330.38 g/mol
LogP1.33
Rot. Bonds6

About (2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide

(2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide (PubChem CID 6539692) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide.

Molecular Properties

Compound Name(2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide
PubChem CID6539692
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name(2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide
SMILESCc1cc(S(=O)(=O)N[C@@H](C(=O)NO)[C@@H](C)C2CC2)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-8-7-11(5-6-12(8)15)22(20,21)17-13(14(18)16-19)9(2)10-3-4-10/h5-7,9-10,13,17,19H,3-4H2,1-2H3,(H,16,18)/t9-,13+/m0/s1
InChIKeyBBJCPZXJCFABTC-TVQRCGJNSA-N
XLogP1.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.33
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,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide?
The IUPAC name of (2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide (CID 6539692) is (2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide.
What is the SMILES notation for (2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide?
The canonical SMILES for (2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide is Cc1cc(S(=O)(=O)N[C@@H](C(=O)NO)[C@@H](C)C2CC2)ccc1F.
What is the InChIKey of (2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide?
The InChIKey is BBJCPZXJCFABTC-TVQRCGJNSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-8-7-11(5-6-12(8)15)22(20,21)17-13(14(18)16-19)9(2)10-3-4-10/h5-7,9-10,13,17,19H,3-4H2,1-2H3,(H,16,18)/t9-,13+/m0/s1.
What are the key properties of (2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide?
(2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide has a molecular weight of 330.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide is sourced from PubChem (CID 6539692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).