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

C12H18N2O7S — CID 11508259

IUPAC2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)C[C@H](O)CO)cc1
InChIInChI=1S/C12H18N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16,18H,6-8H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyFAJZOFHZLDUFEM-VIFPVBQESA-N
MW334.35 g/mol
LogP-1.46
Rot. Bonds8

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

2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 11508259) has the molecular formula C12H18N2O7S and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID11508259
Molecular FormulaC12H18N2O7S
Molecular Weight334.35 g/mol
Exact Mass334.08
IUPAC Name2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)C[C@H](O)CO)cc1
InChIInChI=1S/C12H18N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16,18H,6-8H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyFAJZOFHZLDUFEM-VIFPVBQESA-N
XLogP-1.46
TPSA136.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (CID 11508259) is 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)C[C@H](O)CO)cc1.
What is the InChIKey of 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is FAJZOFHZLDUFEM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16,18H,6-8H2,1H3,(H,13,17)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 334.35 g/mol, XLogP of -1.46, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 11508259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).