1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide

C18H16N2O5S — CID 162656965

IUPAC1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide
SMILESO=C(NO)C1(NS(=O)(=O)c2cccc(-c3cc4ccccc4o3)c2)CC1
InChIInChI=1S/C18H16N2O5S/c21-17(19-22)18(8-9-18)20-26(23,24)14-6-3-5-12(10-14)16-11-13-4-1-2-7-15(13)25-16/h1-7,10-11,20,22H,8-9H2,(H,19,21)
InChIKeyWTWKFKMXGVLMCC-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.42
Rot. Bonds5

About 1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide

1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide (PubChem CID 162656965) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide
PubChem CID162656965
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide
SMILESO=C(NO)C1(NS(=O)(=O)c2cccc(-c3cc4ccccc4o3)c2)CC1
InChIInChI=1S/C18H16N2O5S/c21-17(19-22)18(8-9-18)20-26(23,24)14-6-3-5-12(10-14)16-11-13-4-1-2-7-15(13)25-16/h1-7,10-11,20,22H,8-9H2,(H,19,21)
InChIKeyWTWKFKMXGVLMCC-UHFFFAOYSA-N
XLogP2.42
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide?
The IUPAC name of 1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide (CID 162656965) is 1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for 1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide is O=C(NO)C1(NS(=O)(=O)c2cccc(-c3cc4ccccc4o3)c2)CC1.
What is the InChIKey of 1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide?
The InChIKey is WTWKFKMXGVLMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-17(19-22)18(8-9-18)20-26(23,24)14-6-3-5-12(10-14)16-11-13-4-1-2-7-15(13)25-16/h1-7,10-11,20,22H,8-9H2,(H,19,21).
What are the key properties of 1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide?
1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-benzofuran-2-yl)phenyl]sulfonylamino]-N-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 162656965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).