4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide

C17H18BrN3O6S — CID 59697997

IUPAC4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
SMILESC[C@@H](O)[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)NO
InChIInChI=1S/C17H18BrN3O6S/c1-10(22)15(17(24)20-25)19-16(23)11-2-6-13(7-3-11)21-28(26,27)14-8-4-12(18)5-9-14/h2-10,15,21-22,25H,1H3,(H,19,23)(H,20,24)/t10-,15+/m1/s1
InChIKeyPWMPWIOMZGWOBZ-BMIGLBTASA-N
MW472.32 g/mol
LogP1.23
Rot. Bonds7

About 4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide

4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide (PubChem CID 59697997) has the molecular formula C17H18BrN3O6S and a molecular weight of 472.32 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
PubChem CID59697997
Molecular FormulaC17H18BrN3O6S
Molecular Weight472.32 g/mol
Exact Mass471.01
IUPAC Name4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
SMILESC[C@@H](O)[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)NO
InChIInChI=1S/C17H18BrN3O6S/c1-10(22)15(17(24)20-25)19-16(23)11-2-6-13(7-3-11)21-28(26,27)14-8-4-12(18)5-9-14/h2-10,15,21-22,25H,1H3,(H,19,23)(H,20,24)/t10-,15+/m1/s1
InChIKeyPWMPWIOMZGWOBZ-BMIGLBTASA-N
XLogP1.23
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.32
LogP ≤ 51.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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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Related Compounds

4-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2090399
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
N-[(2S)-1-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 98396439
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-nitrophenyl)benzamide
CID 59698158
methyl (2S)-2-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]propanoate
CID 71516349
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-[(4-bromophenyl)sulfonylamino]benzoate
CID 55314658
4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide
CID 3291122
methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide (CID 59697997) is 4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide is C[C@@H](O)[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)C(=O)NO.
What is the InChIKey of 4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?
The InChIKey is PWMPWIOMZGWOBZ-BMIGLBTASA-N. The full InChI is InChI=1S/C17H18BrN3O6S/c1-10(22)15(17(24)20-25)19-16(23)11-2-6-13(7-3-11)21-28(26,27)14-8-4-12(18)5-9-14/h2-10,15,21-22,25H,1H3,(H,19,23)(H,20,24)/t10-,15+/m1/s1.
What are the key properties of 4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?
4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide has a molecular weight of 472.32 g/mol, XLogP of 1.23, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfonylamino]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 59697997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).