N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C12H15NO5S2 — CID 2810891

IUPACN-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C12H15NO5S2/c14-19(15)6-4-10(8-19)13-20(16,17)11-1-2-12-9(7-11)3-5-18-12/h1-2,7,10,13H,3-6,8H2
InChIKeyZYLZSBZIBDZVFU-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.09
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 2810891) has the molecular formula C12H15NO5S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID2810891
Molecular FormulaC12H15NO5S2
Molecular Weight317.39 g/mol
Exact Mass317.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C12H15NO5S2/c14-19(15)6-4-10(8-19)13-20(16,17)11-1-2-12-9(7-11)3-5-18-12/h1-2,7,10,13H,3-6,8H2
InChIKeyZYLZSBZIBDZVFU-UHFFFAOYSA-N
XLogP0.09
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 2810891) is N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S1(=O)CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is ZYLZSBZIBDZVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S2/c14-19(15)6-4-10(8-19)13-20(16,17)11-1-2-12-9(7-11)3-5-18-12/h1-2,7,10,13H,3-6,8H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 317.39 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 2810891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).