5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide

C7H9NO4S2 — CID 138007940

IUPAC5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(C2OCCO2)c1
InChIInChI=1S/C7H9NO4S2/c8-14(9,10)5-3-6(13-4-5)7-11-1-2-12-7/h3-4,7H,1-2H2,(H2,8,9,10)
InChIKeyFHVBIRQMHQOAAS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.44
Rot. Bonds2

About 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide

5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide (PubChem CID 138007940) has the molecular formula C7H9NO4S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide
PubChem CID138007940
Molecular FormulaC7H9NO4S2
Molecular Weight235.29 g/mol
Exact Mass235.00
IUPAC Name5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(C2OCCO2)c1
InChIInChI=1S/C7H9NO4S2/c8-14(9,10)5-3-6(13-4-5)7-11-1-2-12-7/h3-4,7H,1-2H2,(H2,8,9,10)
InChIKeyFHVBIRQMHQOAAS-UHFFFAOYSA-N
XLogP0.44
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide (CID 138007940) is 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide is NS(=O)(=O)c1csc(C2OCCO2)c1.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide?
The InChIKey is FHVBIRQMHQOAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S2/c8-14(9,10)5-3-6(13-4-5)7-11-1-2-12-7/h3-4,7H,1-2H2,(H2,8,9,10).
What are the key properties of 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide?
5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide has a molecular weight of 235.29 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 138007940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).