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

C7H7ClO4S2 — CID 138039734

IUPAC5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1csc(C2OCCO2)c1
InChIInChI=1S/C7H7ClO4S2/c8-14(9,10)5-3-6(13-4-5)7-11-1-2-12-7/h3-4,7H,1-2H2
InChIKeyMNNTXNSTMRXHOY-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.72
Rot. Bonds2

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

5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride (PubChem CID 138039734) 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-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride
PubChem CID138039734
Molecular FormulaC7H7ClO4S2
Molecular Weight254.72 g/mol
Exact Mass253.95
IUPAC Name5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1csc(C2OCCO2)c1
InChIInChI=1S/C7H7ClO4S2/c8-14(9,10)5-3-6(13-4-5)7-11-1-2-12-7/h3-4,7H,1-2H2
InChIKeyMNNTXNSTMRXHOY-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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Related Compounds

5-(1,3-Dioxolan-2-yl)thiophene-2-sulphonyl chloride
CID 18525939
2-(4-Iodothiophen-2-yl)-1,3-dioxolane
CID 137951453
5-(1,3-Dioxolan-2-yl)thiophene-3-sulfonamide
CID 138007940
2-[2-(Fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide
CID 67814668
2-(4,5-Difluoro-2-thienyl)-1,3-dioxolane
CID 89690209
3-Fluoro-5-(2-methyl-1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride
CID 146617588
2-(2-Thienyl)-1,3-dioxolane
CID 3653561
4-Bromo-5-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl fluoride
CID 165524829
2-(1,3-Dioxolan-2-yl)thiophene-3-sulfonyl fluoride
CID 165904348
5-(1,3-Dioxolan-2-yl)thiophene-3-sulfonyl fluoride
CID 165904894
Methyl 3-[2-(2-dioxolanyl)thiophene-3-yl]-3-thiapropionate
CID 15698034
2-(3-Phenylsulfanylthiophen-2-yl)-1,3-dioxolane
CID 19780491

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride?
The IUPAC name of 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride (CID 138039734) is 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride is O=S(=O)(Cl)c1csc(C2OCCO2)c1.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride?
The InChIKey is MNNTXNSTMRXHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO4S2/c8-14(9,10)5-3-6(13-4-5)7-11-1-2-12-7/h3-4,7H,1-2H2.
What are the key properties of 5-(1,3-dioxolan-2-yl)thiophene-3-sulfonyl chloride?
5-(1,3-dioxolan-2-yl)thiophene-3-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-3-sulfonyl chloride is sourced from PubChem (CID 138039734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).