7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide

C11H11NO5S — CID 88622525

IUPAC7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide
SMILESNS(=O)(=O)c1cc2cccc(OCC3CO3)c2o1
InChIInChI=1S/C11H11NO5S/c12-18(13,14)10-4-7-2-1-3-9(11(7)17-10)16-6-8-5-15-8/h1-4,8H,5-6H2,(H2,12,13,14)
InChIKeyCAAQOTGFDZJASR-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.86
Rot. Bonds4

About 7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide

7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide (PubChem CID 88622525) has the molecular formula C11H11NO5S and a molecular weight of 269.28 g/mol. Its IUPAC name is 7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound Name7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide
PubChem CID88622525
Molecular FormulaC11H11NO5S
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Name7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide
SMILESNS(=O)(=O)c1cc2cccc(OCC3CO3)c2o1
InChIInChI=1S/C11H11NO5S/c12-18(13,14)10-4-7-2-1-3-9(11(7)17-10)16-6-8-5-15-8/h1-4,8H,5-6H2,(H2,12,13,14)
InChIKeyCAAQOTGFDZJASR-UHFFFAOYSA-N
XLogP0.86
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane
CID 139750661
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
CID 139834073
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane
CID 144830025
1-(oxiran-2-ylmethoxy)anthracene-9,10-dione
CID 13423602
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
2-methyl-4-(oxiran-2-ylmethoxy)-1,3-benzoxazole
CID 86209722

Frequently Asked Questions

What is the IUPAC name of 7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide?
The IUPAC name of 7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide (CID 88622525) is 7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide.
What is the SMILES notation for 7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide?
The canonical SMILES for 7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide is NS(=O)(=O)c1cc2cccc(OCC3CO3)c2o1.
What is the InChIKey of 7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide?
The InChIKey is CAAQOTGFDZJASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5S/c12-18(13,14)10-4-7-2-1-3-9(11(7)17-10)16-6-8-5-15-8/h1-4,8H,5-6H2,(H2,12,13,14).
What are the key properties of 7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide?
7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide has a molecular weight of 269.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 88622525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).