4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide

C11H11NO6S2 — CID 14642293

IUPAC4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C11H11NO6S2/c1-17-8-2-4-9(5-3-8)19(13,14)10-6-11(18-7-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16)
InChIKeyVXLVYFXPZGPXCT-UHFFFAOYSA-N
MW317.34 g/mol
LogP0.77
Rot. Bonds4

About 4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide

4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide (PubChem CID 14642293) has the molecular formula C11H11NO6S2 and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide
PubChem CID14642293
Molecular FormulaC11H11NO6S2
Molecular Weight317.34 g/mol
Exact Mass317.00
IUPAC Name4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide
SMILESCOc1ccc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C11H11NO6S2/c1-17-8-2-4-9(5-3-8)19(13,14)10-6-11(18-7-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16)
InChIKeyVXLVYFXPZGPXCT-UHFFFAOYSA-N
XLogP0.77
TPSA116.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide?
The IUPAC name of 4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide (CID 14642293) is 4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide is COc1ccc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide?
The InChIKey is VXLVYFXPZGPXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO6S2/c1-17-8-2-4-9(5-3-8)19(13,14)10-6-11(18-7-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16).
What are the key properties of 4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide?
4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide has a molecular weight of 317.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonylfuran-2-sulfonamide is sourced from PubChem (CID 14642293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).