10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C18H18N2O4S — CID 128850873

IUPAC10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESO=S(=O)(c1cccc2c1OCC2)N1CCN2CCOc3cccc1c32
InChIInChI=1S/C18H18N2O4S/c21-25(22,16-6-1-3-13-7-11-24-18(13)16)20-9-8-19-10-12-23-15-5-2-4-14(20)17(15)19/h1-6H,7-12H2
InChIKeyCXOVBCKDXQMJJF-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.03
Rot. Bonds2

About 10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 128850873) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID128850873
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESO=S(=O)(c1cccc2c1OCC2)N1CCN2CCOc3cccc1c32
InChIInChI=1S/C18H18N2O4S/c21-25(22,16-6-1-3-13-7-11-24-18(13)16)20-9-8-19-10-12-23-15-5-2-4-14(20)17(15)19/h1-6H,7-12H2
InChIKeyCXOVBCKDXQMJJF-UHFFFAOYSA-N
XLogP2.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-(4-fluoro-2-methylphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 110670791
10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 110670820
1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidine-4-carboxylic acid
CID 122101452
1'-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)spiro[1,3-benzodioxole-2,3'-pyrrolidine]
CID 128851107
4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)morpholine-2-carboxylic acid
CID 136548425
1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 139013799
2-methoxy-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)ethanone
CID 75440676
N-tert-butyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide
CID 110670838
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
CID 46807431
furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone
CID 110670703
4-benzylsulfonyl-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 110663227
2-[(2S,6R)-4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-2,6-dimethylpiperazin-1-yl]ethanol
CID 139013798

Frequently Asked Questions

What is the IUPAC name of 10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 128850873) is 10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is O=S(=O)(c1cccc2c1OCC2)N1CCN2CCOc3cccc1c32.
What is the InChIKey of 10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is CXOVBCKDXQMJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c21-25(22,16-6-1-3-13-7-11-24-18(13)16)20-9-8-19-10-12-23-15-5-2-4-14(20)17(15)19/h1-6H,7-12H2.
What are the key properties of 10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 358.42 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 128850873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).