(2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide

C12H16BrN3O5S — CID 45378250

IUPAC(2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide
SMILESCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NO
InChIInChI=1S/C12H16BrN3O5S/c1-8(17)14-7-6-11(12(18)15-19)16-22(20,21)10-4-2-9(13)3-5-10/h2-5,11,16,19H,6-7H2,1H3,(H,14,17)(H,15,18)/t11-/m1/s1
InChIKeyXXZNXULRAJJTRV-LLVKDONJSA-N
MW394.25 g/mol
LogP0.13
Rot. Bonds7

About (2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide

(2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide (PubChem CID 45378250) has the molecular formula C12H16BrN3O5S and a molecular weight of 394.25 g/mol. Its IUPAC name is (2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide.

Molecular Properties

Compound Name(2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide
PubChem CID45378250
Molecular FormulaC12H16BrN3O5S
Molecular Weight394.25 g/mol
Exact Mass393.00
IUPAC Name(2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide
SMILESCC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NO
InChIInChI=1S/C12H16BrN3O5S/c1-8(17)14-7-6-11(12(18)15-19)16-22(20,21)10-4-2-9(13)3-5-10/h2-5,11,16,19H,6-7H2,1H3,(H,14,17)(H,15,18)/t11-/m1/s1
InChIKeyXXZNXULRAJJTRV-LLVKDONJSA-N
XLogP0.13
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide?
The IUPAC name of (2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide (CID 45378250) is (2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide.
What is the SMILES notation for (2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide?
The canonical SMILES for (2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide is CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NO.
What is the InChIKey of (2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide?
The InChIKey is XXZNXULRAJJTRV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16BrN3O5S/c1-8(17)14-7-6-11(12(18)15-19)16-22(20,21)10-4-2-9(13)3-5-10/h2-5,11,16,19H,6-7H2,1H3,(H,14,17)(H,15,18)/t11-/m1/s1.
What are the key properties of (2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide?
(2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide has a molecular weight of 394.25 g/mol, XLogP of 0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetamido-2-[(4-bromophenyl)sulfonylamino]-N-hydroxybutanamide is sourced from PubChem (CID 45378250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).