5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride

C7H7ClO4S2 — CID 18525939

IUPAC5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C2OCCO2)s1
InChIInChI=1S/C7H7ClO4S2/c8-14(9,10)6-2-1-5(13-6)7-11-3-4-12-7/h1-2,7H,3-4H2
InChIKeyFXLSSUOFGGIMFF-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.72
Rot. Bonds2

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

5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride (PubChem CID 18525939) has the molecular formula C7H7ClO4S2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
PubChem CID18525939
Molecular FormulaC7H7ClO4S2
Molecular Weight254.72 g/mol
Exact Mass253.95
IUPAC Name5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C2OCCO2)s1
InChIInChI=1S/C7H7ClO4S2/c8-14(9,10)6-2-1-5(13-6)7-11-3-4-12-7/h1-2,7H,3-4H2
InChIKeyFXLSSUOFGGIMFF-UHFFFAOYSA-N
XLogP1.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride (CID 18525939) is 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc(C2OCCO2)s1.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride?
The InChIKey is FXLSSUOFGGIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO4S2/c8-14(9,10)6-2-1-5(13-6)7-11-3-4-12-7/h1-2,7H,3-4H2.
What are the key properties of 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride?
5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride has a molecular weight of 254.72 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 18525939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).