2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide

C18H21NO4S — CID 54227328

IUPAC2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide
SMILESO=C(NO)C(CCCc1ccccc1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO4S/c20-18(19-21)16(11-7-10-15-8-3-1-4-9-15)14-24(22,23)17-12-5-2-6-13-17/h1-6,8-9,12-13,16,21H,7,10-11,14H2,(H,19,20)
InChIKeyQGTUQYNQWGAEBS-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.60
Rot. Bonds8

About 2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide

2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide (PubChem CID 54227328) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide
PubChem CID54227328
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide
SMILESO=C(NO)C(CCCc1ccccc1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO4S/c20-18(19-21)16(11-7-10-15-8-3-1-4-9-15)14-24(22,23)17-12-5-2-6-13-17/h1-6,8-9,12-13,16,21H,7,10-11,14H2,(H,19,20)
InChIKeyQGTUQYNQWGAEBS-UHFFFAOYSA-N
XLogP2.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
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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Related Compounds

2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylmethyl]-N-hydroxy-5-phenylpentanamide
CID 152754593
N,2-dihydroxy-4-phenylbutanamide
CID 11458241
2-(tert-butylsulfonylmethyl)-4-phenylbutanoic acid
CID 139674741
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide
CID 23505538
5-phenyl-2-(phosphorosomethyl)pentanoic acid
CID 172849260
6-phenyl-2-(sulfanylmethyl)hexanoic acid
CID 10900700
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
4-bromo-N-[1-hydroxy-4-(hydroxycarbamoyl)-7-phenylheptan-2-yl]-N-methylbenzamide
CID 20590871
4-bromo-N-[(2S,4S)-1-hydroxy-4-(hydroxycarbamoyl)-7-phenylheptan-2-yl]-N-methylbenzamide
CID 59064549
1-methylsulfonyl-5-phenylpentan-2-ol
CID 15270511
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide?
The IUPAC name of 2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide (CID 54227328) is 2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide?
The canonical SMILES for 2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide is O=C(NO)C(CCCc1ccccc1)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide?
The InChIKey is QGTUQYNQWGAEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c20-18(19-21)16(11-7-10-15-8-3-1-4-9-15)14-24(22,23)17-12-5-2-6-13-17/h1-6,8-9,12-13,16,21H,7,10-11,14H2,(H,19,20).
What are the key properties of 2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide?
2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide has a molecular weight of 347.44 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-N-hydroxy-5-phenylpentanamide is sourced from PubChem (CID 54227328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).