(2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide

C17H19BrN2O4S — CID 10550399

IUPAC(2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)NO
InChIInChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyVHCRBJFCQRNNFG-MRXNPFEDSA-N
MW427.32 g/mol
LogP2.92
Rot. Bonds6

About (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide

(2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 10550399) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID10550399
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name(2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)NO
InChIInChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyVHCRBJFCQRNNFG-MRXNPFEDSA-N
XLogP2.92
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 52.92
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-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 10550399) is (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide is CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)NO.
What is the InChIKey of (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is VHCRBJFCQRNNFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-11(2)16(17(21)19-22)20-25(23,24)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,20,22H,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 427.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 10550399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).