2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide

C17H20N2O6S — CID 50907292

IUPAC2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESO=C(CN(C[C@H](O)CO)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO
InChIInChI=1S/C17H20N2O6S/c20-12-15(21)10-19(11-17(22)18-23)26(24,25)16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-9,15,20-21,23H,10-12H2,(H,18,22)/t15-/m0/s1
InChIKeyOEHVKBKRRIUTOR-HNNXBMFYSA-N
MW380.42 g/mol
LogP0.20
Rot. Bonds8

About 2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide

2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 50907292) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID50907292
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESO=C(CN(C[C@H](O)CO)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO
InChIInChI=1S/C17H20N2O6S/c20-12-15(21)10-19(11-17(22)18-23)26(24,25)16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-9,15,20-21,23H,10-12H2,(H,18,22)/t15-/m0/s1
InChIKeyOEHVKBKRRIUTOR-HNNXBMFYSA-N
XLogP0.20
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 50.20
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide (CID 50907292) is 2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide is O=C(CN(C[C@H](O)CO)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO.
What is the InChIKey of 2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is OEHVKBKRRIUTOR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c20-12-15(21)10-19(11-17(22)18-23)26(24,25)16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-9,15,20-21,23H,10-12H2,(H,18,22)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide?
2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 380.42 g/mol, XLogP of 0.20, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2,3-dihydroxypropyl]-(4-phenylphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 50907292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).