1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide

C13H14N2O5S — CID 121461171

IUPAC1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide
SMILESO=C(NO)C1=CCN(S(=O)(=O)c2ccc3c(c2)OCC3)C1
InChIInChI=1S/C13H14N2O5S/c16-13(14-17)10-3-5-15(8-10)21(18,19)11-2-1-9-4-6-20-12(9)7-11/h1-3,7,17H,4-6,8H2,(H,14,16)
InChIKeyZYUXENXUSHNNFX-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.06
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide

1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide (PubChem CID 121461171) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide
PubChem CID121461171
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide
SMILESO=C(NO)C1=CCN(S(=O)(=O)c2ccc3c(c2)OCC3)C1
InChIInChI=1S/C13H14N2O5S/c16-13(14-17)10-3-5-15(8-10)21(18,19)11-2-1-9-4-6-20-12(9)7-11/h1-3,7,17H,4-6,8H2,(H,14,16)
InChIKeyZYUXENXUSHNNFX-UHFFFAOYSA-N
XLogP0.06
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3S)-1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)pyrrolidin-3-yl]oxyacetic acid
CID 166279474
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 130204627
(6S)-5-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 166283554
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
2,3-dihydro-1-benzofuran-6-yl-methyl-methylimino-oxo-λ6-sulfane
CID 164866947
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 122438127
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51294863
(2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N-methylpropanamide
CID 8688934
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 166273406

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide (CID 121461171) is 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide is O=C(NO)C1=CCN(S(=O)(=O)c2ccc3c(c2)OCC3)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide?
The InChIKey is ZYUXENXUSHNNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c16-13(14-17)10-3-5-15(8-10)21(18,19)11-2-1-9-4-6-20-12(9)7-11/h1-3,7,17H,4-6,8H2,(H,14,16).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide?
1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide is sourced from PubChem (CID 121461171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).